Compounds

Showing 201 through 300 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
201 EN300-10414_1 molecule CC1(CCS(=O)(=O)C1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3 7.3 ± 0.2
202 EN300-125140_2 molecule COCC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4 7.3 ± 0.3
203 EN300-214800_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCNC5=O −10.0 ± 0.3 7.3 ± 0.2
204 EN300-7459916_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COC(=O)CO −10.0 ± 0.3 7.3 ± 0.2
205 EN300-95598_3 molecule Cn1cc(cn1)S(=O)(=O)NCCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.5 7.3 ± 0.4
206 JOH-SUS-a69c159d-7 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −10.01 ± 0.07 7.29 ± 0.05
207 EN300-20496_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5CCOC5=O −10.0 ± 0.2 7.3 ± 0.2
208 EN300-1608590_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nc(on5)N6CCOCC6 −10.0 ± 0.3 7.3 ± 0.2
209 EN300-18249_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N −10.0 ± 0.2 7.3 ± 0.2
210 EN300-1273362_3 molecule CC1(CN(C1=O)C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2 7.3 ± 0.2
211 EN300-219020_3 molecule Cn1ncc(n1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2 7.3 ± 0.2
212 EN300-2958082_3 molecule C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −10.0 ± 0.3 7.3 ± 0.2
213 EN300-364679_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5cnnn5 −10.0 ± 0.2 7.3 ± 0.2
214 EN300-331941_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@H]5C(=O)N −10.0 ± 0.3 7.3 ± 0.2
215 EN300-302058_2 molecule CON1CCC(C1=O)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3 7.3 ± 0.2
216 EN300-73772_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5[nH]c(=O)[nH]n5 −10.0 ± 0.2 7.3 ± 0.2
217 EN300-124918_1 molecule Cn1c(=O)[nH]c(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2 7.3 ± 0.1
218 VLA-UCB-50c39ae8-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC(=O)N5)Cl −10.0 ± 0.1 7.3 ± 0.1
219 EN300-90225_2 molecule Cn1nc(nn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2 7.3 ± 0.2
220 VLA-UCB-50c39ae8-7 molecule C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.0 ± 0.2 7.3 ± 0.1
221 EN300-6736413_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5CCNC5=O −10.0 ± 0.1 7.3 ± 0.1
222 EN300-18249_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N −10.0 ± 0.2 7.3 ± 0.1
223 EN300-182913_3 molecule CC(C)(C(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3 7.3 ± 0.2
224 EN300-6238494_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)C5COCCO5 −10.0 ± 0.2 7.3 ± 0.2
225 EN300-55072_1 molecule CC(CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2 7.3 ± 0.2
226 EN300-207873_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)O −10.0 ± 0.2 7.3 ± 0.2
227 EN300-135060_1 molecule COC(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3 7.2 ± 0.2
228 EN300-12139_1 molecule CN(C)C(=O)CSCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4 7.2 ± 0.3
229 EN300-78135_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NC5CC5 −9.9 ± 0.2 7.2 ± 0.2
230 EN300-306316_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]cnn5 −9.9 ± 0.2 7.2 ± 0.2
231 EN300-264744_1 molecule CC(C)(C(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −9.9 ± 0.2 7.2 ± 0.2
232 EN300-52325_1 molecule CCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4 7.2 ± 0.3
233 EN300-6488034_1 molecule CC1(CN(CC(O1)CC(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.9 ± 0.4 7.2 ± 0.3
234 EN300-1911992_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(C5CCOC5)O −9.9 ± 0.3 7.2 ± 0.2
235 EN300-20375_1 molecule COCCOCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3 7.2 ± 0.2
236 EN300-1696962_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCn5cnnn5 −9.9 ± 0.4 7.2 ± 0.3
237 EN300-1968342_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(CF)O −9.9 ± 0.2 7.2 ± 0.1
238 EN300-178293_3 molecule CN1CCN(CC1)C(=O)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.6 7.2 ± 0.4
239 EDJ-MED-28ec730d-1 molecule COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3 7.2 ± 0.2
240 EN300-6494158_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CC(CO5)CO −9.9 ± 0.4 7.2 ± 0.3
241 MAK-UNK-83e0a0b4-2 molecule c1cc2c(cc1CN3CCNCC3)cncc2N(CCNC4CNC4)C(=O)C5CCOc6c5cc(cc6)Cl −9.9 ± 0.5 7.2 ± 0.4
242 EN300-31148_3 molecule CCC(=O)NC(C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4 7.2 ± 0.3
243 EN300-51735_2 molecule CN(C)CCN1CC(CC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3 7.2 ± 0.2
244 EN300-317082_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC5COC5 −9.9 ± 0.3 7.2 ± 0.2
245 EN300-197715_4 molecule Cc1nnnn1CCCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3 7.2 ± 0.2
246 EN300-1600786_2 molecule Cn1cc(nn1)CCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3 7.2 ± 0.2
247 EN300-302290_3 molecule CS(=O)(=O)N1CC(C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.4 7.2 ± 0.3
248 EN300-04409_1 molecule COC(=O)CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3 7.2 ± 0.2
249 EN300-6238494_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)C5COCCO5 −9.9 ± 0.3 7.2 ± 0.2
250 DAR-DIA-0d514e7d-18 molecule C[C@H]1COc2c(cc(cc2OC(F)(F)F)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.1 7.2 ± 0.1
251 EN300-219020_4 molecule Cn1ncc(n1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3 7.2 ± 0.2
252 EN300-25572_3 molecule CC1CN(CCO1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.9 ± 0.3 7.2 ± 0.2
253 EN300-2977549_1 molecule CNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.1 7.19 ± 0.09
254 EN300-206592_3 molecule CCCC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −9.9 ± 0.5 7.2 ± 0.3
255 EN300-68740_1 molecule CCCNC(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.4 7.2 ± 0.3
256 EN300-10895_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCC#N −9.9 ± 0.3 7.2 ± 0.3
257 EN300-203293_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CNC(=O)O5 −9.9 ± 0.4 7.2 ± 0.3
258 EN300-317555_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NCCO5 −9.9 ± 0.2 7.2 ± 0.2
259 EN300-125140_4 molecule COCC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.9 ± 0.3 7.2 ± 0.2
260 EN300-217107_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCC5C(=O)N −9.9 ± 0.3 7.2 ± 0.2
261 EN300-59285_3 molecule CC(C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.9 ± 0.3 7.2 ± 0.2
262 EN300-219531_1 molecule CCCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.9 ± 0.3 7.2 ± 0.2
263 EN300-76841_3 molecule CC(COC)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.8 ± 0.4 7.2 ± 0.3
264 DAR-DIA-5ff57136-15 molecule C#CC1(CC1)N(c2cncc3c2cccc3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −9.8 ± 0.2 7.2 ± 0.1
265 EN300-152418_3 molecule Cn1cncc1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3 7.2 ± 0.2
266 EN300-128463_3 molecule CNC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3 7.2 ± 0.3
267 EN300-263153_1 molecule Cn1cc(nn1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3 7.2 ± 0.2
268 EN300-146174_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)CO −9.8 ± 0.3 7.2 ± 0.2
269 EN300-207959_3 molecule CC1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.6 7.2 ± 0.5
270 EN300-105267_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cnccn5 −9.8 ± 0.2 7.2 ± 0.2
271 EN300-137191_3 molecule Cc1cc(n(c(=O)n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −9.8 ± 0.4 7.2 ± 0.3
272 EN300-204935_3 molecule Cn1ncc(n1)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.3 7.2 ± 0.2
273 EN300-22879_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCCCC5C(=O)N −9.8 ± 0.2 7.2 ± 0.2
274 EN300-219020_1 molecule Cn1ncc(n1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2 7.2 ± 0.1
275 EN300-202757_3 molecule CC(CC(=O)N)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3 7.2 ± 0.2
276 EN300-1629199_1 molecule Cc1c(c(nn1C)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N −9.8 ± 0.3 7.2 ± 0.2
277 EN300-01527_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC5CCCO5 −9.8 ± 0.2 7.1 ± 0.2
278 EN300-4726186_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCNS5(=O)=O −9.8 ± 0.5 7.1 ± 0.4
279 EN300-246992_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCC(=O)NC5 −9.8 ± 0.2 7.1 ± 0.2
280 EN300-68747_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCC5)C(=O)N −9.8 ± 0.3 7.1 ± 0.3
281 DAR-DIA-23e5a6a0-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)CCC6)Cl −9.8 ± 0.5 7.1 ± 0.4
282 EN300-260816_2 molecule CN1CCC(C1=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2 7.1 ± 0.2
283 EN300-47606_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC5CCS(=O)(=O)C5 −9.8 ± 0.2 7.1 ± 0.2
284 EN300-88131_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)CO −9.8 ± 0.2 7.1 ± 0.2
285 EN300-364679_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5cnnn5 −9.8 ± 0.4 7.1 ± 0.3
286 EDJ-MED-28ec730d-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −9.8 ± 0.2 7.1 ± 0.2
287 EN300-10747_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CSCC5=O −9.8 ± 0.2 7.1 ± 0.2
288 EN300-1253122_3 molecule CCN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.2 7.1 ± 0.1
289 EN300-222357_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCc5c[nH]nn5 −9.8 ± 0.3 7.1 ± 0.2
290 EN300-6735421_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5(CN(C5)C6CC6)CO −9.8 ± 0.5 7.1 ± 0.4
291 EN300-131093_3 molecule CC(C(=O)NCC(=O)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.8 ± 0.3 7.1 ± 0.2
292 DAR-DIA-0d514e7d-6 molecule C[C@H]1COc2c(cc(cc2OC3CC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 −9.8 ± 0.2 7.1 ± 0.1
293 EN300-178515_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCC(=O)N −9.8 ± 0.2 7.1 ± 0.2
294 EN300-17184_3 molecule C=CCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.7 ± 0.3 7.1 ± 0.2
295 EN300-102347_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(COC5)CO −9.7 ± 0.3 7.1 ± 0.2
296 EN300-6474220_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(CCn5ccnn5)(F)F −9.7 ± 0.3 7.1 ± 0.2
297 EN300-310888_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nnc6n5CCOCC6 −9.7 ± 0.4 7.1 ± 0.3
298 EN300-201553_1 molecule Cn1cc(cn1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.7 ± 0.2 7.1 ± 0.1
299 EN300-4293814_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)CCO −9.7 ± 0.6 7.1 ± 0.5
300 EN300-7457160_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NOC(C5)CC6(COC6)O −9.7 ± 0.3 7.1 ± 0.2
Last updated 2021-02-08T01:55:35.061410+00:00
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