Compounds

Showing 201 through 285 of 290
Rank Compound SMILES ΔG / kcal M-1 pIC50
201 EDJ-MED-5cd3920d-1 molecule c1cc2cncc(c2cc1OC(F)F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.8 ± 0.4 4.2 ± 0.3
202 EDJ-MED-94fddcec-7 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.8 ± 0.2 4.2 ± 0.2
203 EDJ-MED-a12e3a20-1 molecule c1ccc2c(c1)cncc2N3CC(=O)C4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.8 ± 0.5 4.2 ± 0.4
204 MAT-POS-853c0ffa-16 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5ccc(c6)S(=O)(=O)C)Cl −5.8 ± 0.3 4.2 ± 0.2
205 EDJ-MED-7e491f08-1 molecule c1ccc2c(c1)cncc2N3CC([C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)(F)F −5.8 ± 0.3 4.2 ± 0.2
206 MAT-POS-b4d6b7fc-7 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4ccc(c5)NS(=O)(=O)C)Cl −5.7 ± 0.2 4.2 ± 0.2
207 MIK-ENA-5d9157e9-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.7 ± 0.3 4.2 ± 0.2
208 EDJ-MED-94fddcec-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.7 ± 0.1 4.15 ± 0.09
209 EDJ-MED-ede5c6cb-1 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.7 ± 0.2 4.1 ± 0.1
210 ALP-POS-41e2080f-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −5.7 ± 0.2 4.1 ± 0.1
211 MAT-POS-69786b79-1 molecule CNC(=O)C1(CC1)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −5.7 ± 0.2 4.1 ± 0.1
212 PET-UNK-94036022-3 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl −5.6 ± 0.3 4.1 ± 0.2
213 EDJ-MED-b6c6ee2b-1 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OCCN(C)C)Cl −5.5 ± 0.3 4.0 ± 0.2
214 MAT-POS-853c0ffa-10 molecule CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)OC −5.5 ± 0.4 4.0 ± 0.3
215 BEN-BAS-c2bc0d80-3 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CCOc5c4cc(cc5)Cl)CN3 −5.5 ± 0.2 4.0 ± 0.1
216 EDJ-MED-b6c6ee2b-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)OC)Cl −5.5 ± 0.2 4.0 ± 0.1
217 MAT-POS-853c0ffa-6 molecule c1cc2c(cc1Cl)C3(CCN(C3=O)c4cncc5c4c(cc(c5)F)Cl)CN(C2)S(=O)(=O)CC6(CC6)C#N −5.5 ± 0.4 4.0 ± 0.3
218 ALP-POS-ecbed2ba-22 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)CC#N −5.4 ± 0.4 4.0 ± 0.3
219 MAT-POS-853c0ffa-11 molecule CC(C)(c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O −5.4 ± 0.5 3.9 ± 0.4
220 EDJ-MED-ee81482e-4 molecule c1cc2cncc(c2cc1OC3CCNCC3)N4CCC5(C4=O)CN(Cc6c5cc(cc6)Cl)S(=O)(=O)CC7(CC7)C#N −5.4 ± 0.4 3.9 ± 0.3
221 EDJ-MED-f9b78f78-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −5.4 ± 0.2 3.9 ± 0.1
222 MAT-POS-853c0ffa-15 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.4 ± 0.5 3.9 ± 0.3
223 MAT-POS-38eb6498-2 molecule CNC(=O)c1ccc2cncc(c2c1)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.3 ± 0.3 3.9 ± 0.2
224 EDJ-MED-98c0a822-2 molecule CNC(=O)C1(COC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −5.3 ± 0.2 3.9 ± 0.1
225 LUO-POS-868e8996-11 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.3 ± 0.2 3.9 ± 0.1
226 ALP-POS-4483ae88-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CNS(=O)(=O)c5c4cc(cc5)Cl −5.3 ± 0.2 3.9 ± 0.1
227 MAT-POS-853c0ffa-17 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(ccc6)Cl)Cl −5.3 ± 0.2 3.9 ± 0.2
228 EDJ-MED-8bb691af-4 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.3 ± 0.2 3.8 ± 0.1
229 MAT-POS-96396902-1 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)Cc6nncs6 −5.3 ± 0.2 3.8 ± 0.1
230 ALP-POS-afe0272e-2 molecule CNC(=O)CN1CC2(CCN(C2=O)c3cncc4c3cccc4)c5cc(c(cc5C1=O)Cl)Cl −5.2 ± 0.2 3.8 ± 0.1
231 MAT-POS-c7726e07-6 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −5.2 ± 0.2 3.8 ± 0.2
232 MAT-POS-50a80394-8 molecule CC1(CN(C(=O)C12CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6)C −5.2 ± 0.4 3.8 ± 0.3
233 MAT-POS-853c0ffa-18 molecule CC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −5.1 ± 0.2 3.7 ± 0.2
234 MAT-POS-853c0ffa-8 molecule COC1(CC1)CS(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5c(cc(c6)F)Cl)Cl −5.1 ± 0.3 3.7 ± 0.2
235 MAT-POS-1d5ab790-1 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −5.0 ± 0.3 3.7 ± 0.2
236 MAT-POS-69786b79-4 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NC6(CC6)C#N −5.0 ± 0.3 3.7 ± 0.2
237 ALP-POS-ecbed2ba-12 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC6CC6 −5.0 ± 0.2 3.7 ± 0.2
238 EDJ-MED-d4864bdc-3 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −4.9 ± 0.2 3.6 ± 0.1
239 EDJ-MED-94fddcec-5 molecule CS(=O)(=O)c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl −4.9 ± 0.2 3.5 ± 0.1
240 LUO-POS-b4dec3be-1 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −4.8 ± 0.2 3.5 ± 0.1
241 EDJ-MED-9f4ac58c-3 molecule CS(=O)(=O)Nc1ccc2c(c1)cncc2N3CCC4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.8 ± 0.5 3.5 ± 0.3
242 PET-UNK-aa57768f-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N −4.8 ± 0.1 3.47 ± 0.09
243 MAT-POS-853c0ffa-13 molecule c1cc2cncc(c2cc1F)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.7 ± 0.3 3.5 ± 0.2
244 MAT-POS-38eb6498-5 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)C(=O)NC)Cl −4.7 ± 0.2 3.4 ± 0.2
245 PET-UNK-94036022-13 molecule C=C1C(=O)C2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −4.6 ± 0.4 3.4 ± 0.3
246 EDJ-MED-8bb691af-6 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.6 ± 0.3 3.3 ± 0.2
247 ALP-POS-afe0272e-1 molecule CNC(=O)CN1Cc2cc(c(cc2C3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)Cl −4.5 ± 0.2 3.3 ± 0.1
248 MAT-POS-69786b79-3 molecule CC1(CC1)NC(=O)CN2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −4.5 ± 0.3 3.3 ± 0.2
249 ALP-POS-ecbed2ba-10 molecule COC1CN(C1)S(=O)(=O)N2Cc3ccc(cc3C4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl −4.5 ± 0.5 3.3 ± 0.4
250 ALP-POS-ecbed2ba-5 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CS(=O)(=O)C6 −4.4 ± 0.8 3.2 ± 0.6
251 MAT-POS-b4d6b7fc-5 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −4.4 ± 0.2 3.2 ± 0.1
252 EDJ-MED-d7486dd1-1 molecule Cc1cc(cc2c1c(cnc2)N3CCC4(C3)CCOc5c4cc(cc5)Cl)S(=O)(=O)C −4.40 ± 0.08 3.21 ± 0.06
253 MAT-POS-853c0ffa-5 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −4.4 ± 0.7 3.2 ± 0.5
254 EDJ-MED-a6bab6fb-1 molecule Cc1cccc2c1c(cnc2)N3CCC4(C3)CCOc5c4cc(cc5)Cl −4.17 ± 0.07 3.04 ± 0.05
255 EDJ-MED-94fddcec-6 molecule CN(c1ccc2c(c1)cncc2N3CCC4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl)S(=O)(=O)C −4.2 ± 0.2 3.0 ± 0.2
256 ALP-POS-ecbed2ba-14 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)NCC#N −4.1 ± 0.2 3.0 ± 0.2
257 MAT-POS-c7726e07-5 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −4.1 ± 0.3 3.0 ± 0.2
258 LUO-POS-b4dec3be-2 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cc(cc5)F)Cl −4.1 ± 0.2 3.0 ± 0.2
259 EDJ-MED-8bb691af-7 molecule CNC(=O)CN1CC2(CCN(C2)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl −4.0 ± 0.1 2.89 ± 0.08
260 EDJ-MED-e78d5f1a-1 molecule c1cc2cncc(c2c(c1)Cl)N3CCC4(C3)CCOc5c4cc(cc5)Cl −3.93 ± 0.08 2.87 ± 0.06
261 LUO-POS-868e8996-12 molecule CNC(=O)CN1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl −3.8 ± 0.2 2.8 ± 0.1
262 EDJ-MED-159244ea-2 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3)CCOc5c4cc(cc5)Cl −3.76 ± 0.08 2.74 ± 0.06
263 MAT-POS-b4d6b7fc-6 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −3.6 ± 0.2 2.7 ± 0.1
264 MAT-POS-983b399a-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3)CCOc5c4cc(cc5)Cl −3.63 ± 0.07 2.65 ± 0.05
265 EDJ-MED-8bb691af-2 molecule c1ccc2c(c1)cncc2N3CCC4(C3)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −3.6 ± 0.2 2.6 ± 0.2
266 EDJ-MED-f3cfbbb5-1 molecule Cc1cccc2c1c(cnc2)N3CCC4(C3)COCc5c4cc(cc5)Cl −3.59 ± 0.07 2.62 ± 0.05
267 MAT-POS-1d5ab790-2 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4c(ccc5)Cl)Cl −3.4 ± 0.2 2.5 ± 0.2
268 LUO-POS-eaf50f21-1 molecule c1ccc2c(c1)cncc2N3C(=O)C4(CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)N=C3N −3.4 ± 0.4 2.5 ± 0.3
269 EDJ-MED-3656d29d-1 molecule Cc1cccc2c1c(cnc2)N3CCC4(C3)CN(Cc5c4cc(cc5)Cl)CC(=O)NC −3.1 ± 0.1 2.29 ± 0.08
270 EDJ-MED-8bb691af-1 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)CCN(C3)c4cncc5c4cccc5)Cl −3.1 ± 0.1 2.29 ± 0.09
271 PET-UNK-94036022-6 molecule C=C1C(=O)[C@]2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −3.1 ± 0.3 2.3 ± 0.2
272 EDG-MED-00af8776-1 molecule c1ccc2c(c1)cncc2N3C=NC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −2.9 ± 0.4 2.1 ± 0.3
273 ALP-POS-ecbed2ba-8 molecule c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CCC6)C#N −2.8 ± 0.5 2.1 ± 0.4
274 EDJ-MED-98c0a822-1 molecule CNC(=O)C1(CCC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −2.6 ± 0.3 1.9 ± 0.2
275 PET-UNK-94036022-7 molecule CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −2.3 ± 0.2 1.7 ± 0.2
276 EDG-MED-0c930815-1 molecule c1ccc2c(c1)cncc2N3C=NC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −1.5 ± 0.3 1.1 ± 0.2
277 PET-UNK-94036022-14 molecule CNC(=O)CN1Cc2ccc(cc2C3(C1)C(=O)C(=C)N(C3=O)c4cncc5c4cccc5)Cl −1.4 ± 0.3 1.0 ± 0.2
278 EDJ-MED-976a33d5-3 molecule CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cccc5)c6cc(ccc6S2(=O)=O)Cl −1.2 ± 0.5 0.9 ± 0.4
279 EDG-MED-b6bce001-1 molecule c1ccc2c(c1)cncc2N3C=NC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N −1.2 ± 0.3 0.8 ± 0.2
280 EDJ-MED-fd8ed875-1 molecule CNC(=O)CN1CC2(c3cc(ccc3C1=O)Cl)C(=O)N(C=N2)c4cncc5c4cccc5 −0.8 ± 0.2 0.6 ± 0.1
281 LUO-POS-b5068a05-1 molecule CN(C)NC1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 −0.8 ± 0.3 0.6 ± 0.2
282 EDJ-MED-fd8ed875-2 molecule CNC(=O)C1(CC1)N2CC3(c4cc(ccc4C2=O)Cl)C(=O)N(C=N3)c5cncc6c5cccc6 −0.6 ± 0.2 0.4 ± 0.1
283 LUO-POS-eaf50f21-3 molecule CC(=O)NC1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 0.2 ± 0.5 −0.1 ± 0.3
284 EDG-MED-b6bce001-2 molecule CC1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 0.2 ± 0.6 −0.1 ± 0.5
285 LUO-POS-eaf50f21-4 molecule CN(C)C1=NC2(CN(Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)C(=O)N1c5cncc6c5cccc6 1.4 ± 0.4 −1.0 ± 0.3
Last updated 2022-01-08T06:37:21.173141+00:00
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