Compounds

Showing 401 through 500 of 10131
Rank Compound SMILES ΔG / kcal M-1 pIC50
401 EN300-65978_3 molecule Cn1cc(cn1)CN(C)C(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.5 ± 0.6 6.9 ± 0.4
402 VLA-UCB-34f3ed0c-20 molecule c1ccc2c(c1)cncc2N(C(=O)c3c[nH]cn3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl −9.4 ± 0.3 6.9 ± 0.2
403 EN300-14767_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCCN(C5)C(=O)N −9.4 ± 0.3 6.9 ± 0.2
404 EN300-6739235_3 molecule CN([C@H]1C[C@@H](C1)C(=O)NCC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)C −9.4 ± 0.3 6.9 ± 0.2
405 EN300-208191_3 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N5CCOCC5 −9.4 ± 0.3 6.9 ± 0.2
406 EN300-02015_3 molecule COCCNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.4 ± 0.3 6.9 ± 0.2
407 EN300-220194_3 molecule CC(C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC −9.4 ± 0.4 6.9 ± 0.3
408 EN300-10414_3 molecule CC1(CCS(=O)(=O)C1)NC(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.4 ± 0.3 6.9 ± 0.2
409 EN300-1667046_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)(c6ccn[nH]6)O −9.4 ± 0.3 6.9 ± 0.2
410 EN300-120586_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F −9.4 ± 0.3 6.9 ± 0.2
411 EN300-6482967_1 molecule CNS(=O)(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.4 ± 0.2 6.9 ± 0.2
412 EN300-11300_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(=O)[nH]c(=O)[nH]5 −9.4 ± 0.3 6.9 ± 0.2
413 EN300-10414_2 molecule CC1(CCS(=O)(=O)C1)NC(=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.4 ± 0.3 6.9 ± 0.2
414 EN300-68875_3 molecule CNS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.4 ± 0.4 6.9 ± 0.3
415 EN300-349304_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@H](C5)O)O −9.4 ± 0.3 6.9 ± 0.2
416 EN300-6494859_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CC(OC5)Cn6cccn6 −9.4 ± 0.4 6.9 ± 0.3
417 EN300-7436306_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5=NO[C@H]6[C@@H]5COC6 −9.4 ± 0.3 6.9 ± 0.2
418 DAR-DIA-0d514e7d-25 molecule C[C@H]1COc2c(cc(cc2OC)Cl)[C@]1(C)C(=O)Nc3cncc4c3cccc4 −9.4 ± 0.1 6.85 ± 0.10
419 EN300-6491682_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCc6c(nn[nH]6)C5 −9.4 ± 0.3 6.8 ± 0.3
420 EN300-52467_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCO −9.4 ± 0.2 6.8 ± 0.1
421 EN300-47606_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)NCC5CCS(=O)(=O)C5 −9.4 ± 0.5 6.8 ± 0.4
422 EN300-1968342_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(CF)O −9.4 ± 0.2 6.8 ± 0.1
423 EN300-317082_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC5COC5 −9.4 ± 0.2 6.8 ± 0.2
424 EN300-18249_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N −9.4 ± 0.2 6.8 ± 0.1
425 EN300-104493_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)C5CCOC5 −9.4 ± 0.3 6.8 ± 0.2
426 EN300-05620_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCNC(=O)N −9.4 ± 0.3 6.8 ± 0.3
427 EN300-204935_1 molecule Cn1ncc(n1)C(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.4 ± 0.3 6.8 ± 0.2
428 DAR-DIA-0d514e7d-24 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)CC(C)C −9.4 ± 0.2 6.8 ± 0.1
429 EN300-6505003_3 molecule CC1CCC(C(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.4 ± 0.4 6.8 ± 0.3
430 EN300-01527_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC5CCCO5 −9.4 ± 0.3 6.8 ± 0.2
431 EN300-203118_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)(CO)F −9.4 ± 0.5 6.8 ± 0.3
432 EN300-23317_4 molecule CC(C(=O)NCCOC)OCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.4 ± 0.4 6.8 ± 0.3
433 EN300-174603_1 molecule CN(C(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −9.3 ± 0.3 6.8 ± 0.2
434 EN300-68203_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5CCC(=O)N5 −9.3 ± 0.3 6.8 ± 0.2
435 EN300-261986_1 molecule CS(=O)(=O)N1CCC(C1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.3 ± 0.2 6.8 ± 0.2
436 EN300-256053_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)CO −9.3 ± 0.2 6.8 ± 0.2
437 EN300-303908_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@]6(C[C@H]6C5)O −9.3 ± 0.4 6.8 ± 0.3
438 EN300-260696_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5n6cccn6)O −9.3 ± 0.6 6.8 ± 0.5
439 EN300-94900_2 molecule CS(=O)(=O)Cc1nc(on1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.3 ± 0.5 6.8 ± 0.3
440 EN300-189495_2 molecule CC(=O)NCC(C)(C)C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.3 6.8 ± 0.2
441 EN300-1270211_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@]6(C[C@]6(C5)CO)CO −9.3 ± 0.3 6.8 ± 0.2
442 VLA-UCB-05e51b3f-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 −9.3 ± 0.3 6.8 ± 0.2
443 EN300-02015_1 molecule COCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.3 6.8 ± 0.2
444 ADA-UCB-dc2b944c-10 molecule Cc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.30 ± 0.09 6.77 ± 0.07
445 EN300-87334_2 molecule Cn1c(ncn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.3 ± 0.3 6.8 ± 0.2
446 EDJ-MED-e4b030d8-11 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −9.29 ± 0.05 6.77 ± 0.04
447 JAG-UCB-706446eb-4 molecule CCOC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.2 6.8 ± 0.2
448 EN300-100700_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H](NC(=O)C5)CO −9.3 ± 0.4 6.8 ± 0.3
449 EN300-22884_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCNC(=O)C5 −9.3 ± 0.3 6.8 ± 0.2
450 EN300-157897_2 molecule CC[C@@H](CO)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.4 6.8 ± 0.3
451 EN300-123205_2 molecule CNS(=O)(=O)CCC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.4 6.8 ± 0.3
452 EN300-60862_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC(C5)C(=O)N −9.3 ± 0.3 6.8 ± 0.2
453 EN300-31845_3 molecule COCCN1CC(CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.3 ± 0.4 6.8 ± 0.3
454 EN300-92662_1 molecule Cn1c(ccn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.3 ± 0.3 6.8 ± 0.2
455 EN300-216063_2 molecule CN(C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.1 6.76 ± 0.09
456 EN300-1630093_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C5(CCOC5)O −9.3 ± 0.2 6.7 ± 0.2
457 EN300-321459_1 molecule CN(C(=O)C[C@@]1(c2c(ccc(c2)Cl)OCC1)C(=O)Nc3c4c(cnc3)cccc4)[C@H]5C[C@H](C5)C(=O)N −9.3 ± 0.3 6.7 ± 0.2
458 EN300-1915260_2 molecule COCC(COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.3 ± 0.3 6.7 ± 0.2
459 EN300-245265_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5cnc(n5)C#N −9.3 ± 0.3 6.7 ± 0.2
460 EN300-249475_1 molecule CC(=O)NC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.3 ± 0.2 6.7 ± 0.2
461 EN300-248888_3 molecule CC(C=C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.3 ± 0.3 6.7 ± 0.2
462 EN300-1253122_1 molecule CCN(C)C(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.2 6.7 ± 0.1
463 EN300-113112_1 molecule Cn1cnnc1CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.2 ± 0.2 6.7 ± 0.2
464 EN300-114134_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCCS5(=O)=O −9.2 ± 0.4 6.7 ± 0.3
465 EN300-6736413_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC5CCNC5=O −9.2 ± 0.1 6.7 ± 0.1
466 EN300-1588617_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@@H]5C#N −9.2 ± 0.2 6.7 ± 0.1
467 EN300-1723663_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5CCN(C(=O)C5)CCO −9.2 ± 0.3 6.7 ± 0.2
468 EN300-1911992_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(C5CCOC5)O −9.2 ± 0.3 6.7 ± 0.2
469 EN300-216916_3 molecule CN(C)CC(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.5 6.7 ± 0.3
470 EN300-105267_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)Nc5cnccn5 −9.2 ± 0.3 6.7 ± 0.2
471 EN300-195756_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5CCC(=O)N5 −9.2 ± 0.2 6.7 ± 0.2
472 EN300-299532_3 molecule CC(C)(C(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −9.2 ± 0.4 6.7 ± 0.3
473 EN300-42243_1 molecule CC(C)CS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.3 6.7 ± 0.2
474 EN300-6974806_1 molecule C[C@H]([C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O −9.2 ± 0.2 6.7 ± 0.2
475 EN300-68635_1 molecule CCNC(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.3 6.7 ± 0.2
476 EN300-19542_1 molecule CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.2 6.7 ± 0.1
477 EN300-226314_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)C5CCS(=O)(=O)C5 −9.2 ± 0.2 6.7 ± 0.2
478 EN300-224741_1 molecule CCC(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.3 6.7 ± 0.2
479 EN300-302290_1 molecule CS(=O)(=O)N1CC(C1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.2 ± 0.3 6.7 ± 0.2
480 EN300-04492_1 molecule COCCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.2 6.7 ± 0.2
481 EN300-246423_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CCC5)O −9.2 ± 0.3 6.7 ± 0.2
482 EN300-08063_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC(CC5)C(=O)N −9.2 ± 0.2 6.7 ± 0.2
483 JAG-UCB-7b680c2b-1 molecule CC(C)(C)OC(=O)NCc1cccc(c1)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.2 ± 0.4 6.7 ± 0.3
484 EN300-219330_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCN5CCOCC5=O −9.2 ± 0.3 6.7 ± 0.2
485 EN300-1265071_1 molecule CN(Cc1c[nH]nn1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.2 ± 0.3 6.7 ± 0.2
486 EN300-342462_3 molecule CN1CCC(CC1)NC(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.2 ± 0.4 6.7 ± 0.3
487 EN300-155498_1 molecule CC(=C)[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.3 6.7 ± 0.2
488 EN300-17184_4 molecule C=CCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.4 6.7 ± 0.3
489 DAR-DIA-0d514e7d-30 molecule C[C@@]1(c2cc(ccc2OCC1(C)C)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.2 6.7 ± 0.1
490 EN300-73662_1 molecule COC(=O)C[C@H](CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.3 6.7 ± 0.2
491 EN300-31242_1 molecule COCC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −9.2 ± 0.3 6.7 ± 0.2
492 EN300-124301_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCn5ccnn5 −9.2 ± 0.3 6.7 ± 0.2
493 EN300-1915260_3 molecule COCC(COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −9.2 ± 0.3 6.7 ± 0.2
494 EN300-22884_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCNC(=O)C5 −9.2 ± 0.3 6.7 ± 0.2
495 EN300-46832_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC5CCOC5 −9.2 ± 0.4 6.7 ± 0.3
496 EN300-7456499_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCCO −9.1 ± 0.4 6.7 ± 0.3
497 EN300-316216_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −9.1 ± 0.2 6.7 ± 0.2
498 EN300-6498726_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](CO)CF −9.1 ± 0.4 6.7 ± 0.3
499 EN300-1258964_3 molecule CC(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC −9.1 ± 0.5 6.7 ± 0.4
500 MAK-UNK-8be7dca9-5 molecule c1cc2c(cc1CN)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl −9.1 ± 0.1 6.7 ± 0.1
Last updated 2021-02-02T06:30:38.392981+00:00
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