Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
301 |
VLA-UNK-f2612802-1
|
|
CNC(=O)CN1C([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl)C(F)(F)F |
−4.2
± 0.7
|
3.1
± 0.5
|
302 |
VLA-UNK-61877630-10
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)(F)F |
−4.1
± 0.8
|
3.0
± 0.5
|
303 |
MAT-POS-50a80394-7
|
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5)C |
−3.9
± 0.3
|
2.9
± 0.2
|
304 |
EDJ-MED-3707c4bc-1
|
|
CC(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−3.9
± 0.8
|
2.8
± 0.6
|
305 |
JOH-MSK-1f2dff76-4
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CNCc5c4cc(cc5)Cl |
−3.9
± 0.4
|
2.8
± 0.3
|
306 |
PET-UNK-94036022-5
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−3.8
± 0.6
|
2.8
± 0.5
|
307 |
ALP-POS-ecbed2ba-17
|
|
CN(CC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−3.8
± 0.8
|
2.8
± 0.6
|
308 |
MAT-POS-40ad851a-1
|
|
CN1CCCC1COc2ccc3cncc(c3c2)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−3.8
± 0.6
|
2.7
± 0.5
|
309 |
MAT-POS-38eb6498-1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−3.6
± 0.9
|
2.6
± 0.6
|
310 |
MAT-POS-1a788f51-4
|
|
CC(C)(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−3.6
± 1.0
|
2.6
± 0.7
|
311 |
MIK-ENA-794411b8-1
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−3.4
± 0.3
|
2.5
± 0.2
|
312 |
ALP-POS-ecbed2ba-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 |
−3
± 1
|
2.5
± 0.8
|
313 |
LUO-POS-ed2cfb03-1
|
|
CN1CCN(CC1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−3.2
± 1.0
|
2.3
± 0.7
|
314 |
MIC-UNK-c85ea37c-2
|
|
CCC(=O)Nc1ccc(cc1)C2CN(C(=O)C23CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−3.2
± 0.6
|
2.3
± 0.5
|
315 |
PET-UNK-94036022-6
|
|
C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−3
± 1
|
2.2
± 0.8
|
316 |
EDJ-MED-976a33d5-3
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
−3.0
± 0.8
|
2.2
± 0.6
|
317 |
EDG-MED-b1ef7fe3-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−3.0
± 0.5
|
2.2
± 0.4
|
318 |
PET-UNK-94036022-4
|
|
C#CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3[C@]4(C2)CC(=O)N(C4=O)c5cncc6c5cccc6)Cl |
−2.6
± 0.8
|
1.9
± 0.6
|
319 |
MIK-ENA-7066949b-1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−2.6
± 0.7
|
1.9
± 0.5
|
320 |
EDJ-MED-b6c6ee2b-6
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)F)c5cc(ccc5C1=O)Cl |
−2.6
± 0.4
|
1.9
± 0.3
|
321 |
PET-UNK-6af7266d-3
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 |
−2.5
± 0.6
|
1.8
± 0.5
|
322 |
MAT-POS-853c0ffa-10
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC |
−2.4
± 0.7
|
1.7
± 0.5
|
323 |
PET-UNK-94036022-13
|
|
C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 |
−2
± 1
|
1.7
± 0.8
|
324 |
EDJ-MED-7e491f08-2
|
|
CNC(=O)C1(CC1)N2C[C@]3(c4cc(ccc4C2=O)Cl)C(=O)N(CC3(F)F)c5cncc6c5cccc6 |
−2.3
± 0.8
|
1.7
± 0.6
|
325 |
LUO-POS-f7b1afe6-2
|
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−2.2
± 0.9
|
1.6
± 0.7
|
326 |
LUO-POS-8484f2d3-1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−2.2
± 0.7
|
1.6
± 0.5
|
327 |
MAT-POS-38eb6498-2
|
|
CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−2.1
± 0.8
|
1.5
± 0.6
|
328 |
EDJ-MED-33064c06-6
|
|
CN1CC(C1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−2.1
± 0.6
|
1.5
± 0.4
|
329 |
MAT-POS-853c0ffa-19
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cc(cc6)OCCN(C)C)Cl |
−1.8
± 0.9
|
1.3
± 0.7
|
330 |
MAT-POS-be048f2c-7
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)C(=O)c6ccnn6C7CC7 |
−1.6
± 0.7
|
1.2
± 0.5
|
331 |
MAT-POS-50a80394-8
|
|
CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C |
−1
± 1
|
1.0
± 0.8
|
332 |
EDJ-MED-ee81482e-3
|
|
CN(C)CC(COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−1.3
± 0.4
|
0.9
± 0.3
|
333 |
MAT-POS-e48723dc-1
|
|
CNC(=O)C1(CC1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−1.1
± 0.5
|
0.8
± 0.4
|
334 |
EDJ-MED-98c0a822-3
|
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−1.1
± 0.7
|
0.8
± 0.5
|
335 |
PET-UNK-14142a25-10
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.9
± 0.5
|
0.7
± 0.4
|
336 |
EDJ-MED-468565e0-3
|
|
c1cc2cncc(c2cc1OCCN3CCS(=O)(=O)CC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
−0.8
± 0.7
|
0.6
± 0.5
|
337 |
LUO-POS-9931618f-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.6
± 0.5
|
0.5
± 0.4
|
338 |
PET-UNK-aa57768f-9
|
|
C#CCN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−0.5
± 0.5
|
0.4
± 0.4
|
339 |
PET-UNK-6af7266d-1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6nncs6 |
−0.4
± 0.5
|
0.3
± 0.4
|
340 |
ALP-POS-c3a90b22-11
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−0.4
± 0.3
|
0.3
± 0.2
|
341 |
EDJ-MED-33064c06-14
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−0.4
± 0.6
|
0.3
± 0.4
|
342 |
MAT-POS-40ad851a-2
|
|
CCN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−0.2
± 0.7
|
0.1
± 0.5
|
343 |
EDJ-MED-0d144977-3
|
|
Cn1c(ccn1)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
−0.2
± 0.6
|
0.1
± 0.4
|
344 |
VLA-UNK-61877630-5
|
|
CNC(=O)CN1C[C@@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
−0.1
± 0.7
|
0.1
± 0.5
|
345 |
EDJ-MED-33064c06-12
|
|
CC(C)(CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)O |
−0.1
± 0.7
|
0.0
± 0.5
|
346 |
EDJ-MED-33064c06-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
0.1
± 0.6
|
−0.1
± 0.4
|
347 |
EDJ-MED-33064c06-3
|
|
CNC1(CC1)CNC(=O)CN2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.1
± 0.8
|
−0.1
± 0.6
|
348 |
EDJ-MED-40e596c8-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
0.2
± 0.4
|
−0.1
± 0.3
|
349 |
ALP-POS-ecbed2ba-13
|
|
CC(C)(CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
0.3
± 1.0
|
−0.2
± 0.7
|
350 |
MAT-POS-ddfe83c6-1
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cc(cc4)OC)c5cc(ccc5C1=O)Cl |
0.5
± 0.7
|
−0.4
± 0.5
|
351 |
DAR-DIA-6be260fc-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCNc5c4cc(cc5)Cl |
0.5
± 0.6
|
−0.4
± 0.4
|
352 |
EDJ-MED-cc48ee33-2
|
|
Cn1c(ccn1)C(=O)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
0.6
± 0.5
|
−0.4
± 0.4
|
353 |
VLA-UNK-8e615992-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)F)Cl |
0.6
± 0.6
|
−0.4
± 0.4
|
354 |
EDJ-MED-468565e0-1
|
|
c1cc2cncc(c2cc1OCCN3CCCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.8
|
−0.4
± 0.5
|
355 |
EDJ-MED-468565e0-4
|
|
c1cc2cncc(c2cc1OCCN3CCC(CC3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
0.6
± 0.6
|
−0.4
± 0.4
|
356 |
MIK-ENA-37e0b697-1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
0.8
± 0.7
|
−0.6
± 0.5
|
357 |
VLA-UNK-e334495f-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
0.9
± 0.9
|
−0.6
± 0.6
|
358 |
EDJ-MED-5cd3920d-2
|
|
c1cc2cncc(c2cc1C(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
1.1
± 0.9
|
−0.8
± 0.6
|
359 |
ALP-POS-ecbed2ba-8
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N |
1
± 1
|
−0.8
± 0.7
|
360 |
MAT-POS-40ad851a-3
|
|
CCN(CC)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
1.2
± 0.5
|
−0.9
± 0.3
|
361 |
EDJ-MED-4138fde9-5
|
|
CNCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)C6(CC6)C(=O)NC |
1.4
± 0.7
|
−1.0
± 0.5
|
362 |
EDJ-MED-d4864bdc-3
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
1.4
± 0.6
|
−1.0
± 0.4
|
363 |
EDJ-MED-cc48ee33-4
|
|
Cc1cnn(c1C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl)C |
1.6
± 0.6
|
−1.2
± 0.4
|
364 |
LUO-POS-e1dab717-6
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OC)c6cc(ccc6C2=O)Cl |
1.7
± 0.8
|
−1.2
± 0.6
|
365 |
MAT-POS-50a80394-2
|
|
CCC1CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
1.7
± 0.7
|
−1.2
± 0.5
|
366 |
ALP-POS-afe0272e-2
|
|
CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl |
1.8
± 0.7
|
−1.3
± 0.5
|
367 |
MAT-POS-983b399a-1
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CCOc5c4cc(cc5)Cl |
1.8
± 0.8
|
−1.3
± 0.6
|
368 |
EDJ-MED-ee81482e-1
|
|
c1cc2cncc(c2cc1OC3CNC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
2
± 1
|
−1.3
± 0.8
|
369 |
MAT-POS-853c0ffa-12
|
|
CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC)O |
1.8
± 0.8
|
−1.3
± 0.6
|
370 |
ALP-POS-ecbed2ba-3
|
|
CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
1.8
± 1.0
|
−1.3
± 0.7
|
371 |
EDJ-MED-94fddcec-7
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
2.0
± 0.7
|
−1.4
± 0.5
|
372 |
LUO-POS-ed2cfb03-2
|
|
CNS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.0
± 0.8
|
−1.5
± 0.6
|
373 |
EDJ-MED-dfa1d800-3
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCN6CCS(=O)(=O)CC6)c7cc(ccc7C2=O)Cl |
2.1
± 0.7
|
−1.5
± 0.5
|
374 |
MAT-POS-be048f2c-8
|
|
CCCn1c(ccn1)C(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
2.1
± 0.7
|
−1.5
± 0.5
|
375 |
PET-UNK-94036022-3
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
2.2
± 0.9
|
−1.6
± 0.6
|
376 |
PET-UNK-c6bcc80b-6
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(c(c4)NS(=O)(=O)C)F)c5cc(ccc5C1=O)Cl |
2.2
± 0.8
|
−1.6
± 0.6
|
377 |
EDJ-MED-4138fde9-6
|
|
CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc(cc5)OCCNCC(F)(F)F)c6cc(ccc6C2=O)Cl |
2.6
± 0.7
|
−1.9
± 0.5
|
378 |
ALP-POS-ecbed2ba-21
|
|
CN(CCOC)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.8
± 1.0
|
−2.0
± 0.7
|
379 |
EDJ-MED-3707c4bc-2
|
|
CC(C)(C)CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
2.9
± 0.9
|
−2.1
± 0.7
|
380 |
EDJ-MED-b6c6ee2b-3
|
|
COc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
2.9
± 0.7
|
−2.1
± 0.5
|
381 |
ALP-POS-ecbed2ba-22
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N |
2.9
± 0.7
|
−2.1
± 0.5
|
382 |
EDJ-MED-9f4ac58c-7
|
|
COC1(CC1)CS(=O)(=O)N2CC3(CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)c6cc(ccc6C2=O)Cl |
2.9
± 0.8
|
−2.1
± 0.6
|
383 |
VLA-UNK-f2612802-2
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5S1(=O)=O)F)Cl |
3.0
± 0.7
|
−2.2
± 0.5
|
384 |
EDJ-MED-468565e0-2
|
|
c1cc2cncc(c2cc1OCCN3CCOCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3.1
± 0.9
|
−2.2
± 0.6
|
385 |
EDJ-MED-98c0a822-1
|
|
CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl |
3.4
± 1.0
|
−2.4
± 0.7
|
386 |
EDJ-MED-468565e0-5
|
|
c1cc2cncc(c2cc1OCCN3CC(C3)(F)F)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
3.4
± 1.0
|
−2.5
± 0.7
|
387 |
EDJ-MED-5cd3920d-5
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C(F)F |
3.5
± 0.8
|
−2.6
± 0.6
|
388 |
LUO-POS-e1dab717-12
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(S(=O)(=O)c5c4cc(cc5)Cl)CC(=O)NCC6CC6 |
3.7
± 0.9
|
−2.7
± 0.6
|
389 |
EDJ-MED-4138fde9-2
|
|
c1cc2cncc(c2cc1OCCNCC(F)(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
3.8
± 0.8
|
−2.8
± 0.6
|
390 |
ALP-POS-c3a90b22-9
|
|
CNC(=O)C1(CCOCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6C2=O)Cl |
4.1
± 0.6
|
−3.0
± 0.4
|
391 |
ALP-POS-ecbed2ba-16
|
|
CN(CCC#N)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
4
± 1
|
−3.0
± 0.7
|
392 |
MAT-POS-853c0ffa-9
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
4.2
± 0.9
|
−3.1
± 0.7
|
393 |
EDJ-MED-7587a9ee-3
|
|
CS(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
4.5
± 0.8
|
−3.3
± 0.6
|
394 |
LUO-POS-e1dab717-16
|
|
CC1(CC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6)C |
4.6
± 0.9
|
−3.3
± 0.7
|
395 |
EDJ-MED-f9b78f78-4
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl |
4.6
± 0.6
|
−3.4
± 0.4
|
396 |
MAT-POS-1a788f51-3
|
|
CC(C)NCCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
5
± 1
|
−3.7
± 0.8
|
397 |
ALP-POS-ecbed2ba-15
|
|
c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCCC6)C#N |
5.3
± 0.9
|
−3.8
± 0.7
|
398 |
EDJ-MED-ede5c6cb-1
|
|
CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
5.5
± 0.8
|
−4.0
± 0.6
|
399 |
EDJ-MED-ee81482e-4
|
|
c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N |
5.5
± 1.0
|
−4.0
± 0.7
|
400 |
ALP-POS-ecbed2ba-19
|
|
CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
5.6
± 1.0
|
−4.1
± 0.7
|