| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055961
BDB055961
|
BDBM50434291
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCCCC1
|
C35H41Cl2N3O2 606.638000 |
SPEPXXJBZXEJRQ-OIDHKYIRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434291; PubChem:CID17754800
|
Local ready
Direct docking supported
|
|
E3L055962
BDB055962
|
Mdm2-IN-21
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1
|
C34H40Cl2N4O2 607.626000 |
HPHUDNTXCKTLNK-SZAHLOSFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434292; PubChem:CID17754546
|
Local ready
Direct docking supported
|
|
E3L055963
BDB055963
|
BDBM50434353
COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
|
C17H11Cl2N5OS 404.282000 |
QSGKPYRFWJINEH-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50434353; PubChem:CID71529610
|
Local ready
Direct docking supported
|
|
E3L055964
BDB055964
|
BDBM50434407
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)CO
|
C25H41ClN4O4 497.080000 |
VWNBYMCUEPVMAQ-LMNJBCLMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434407; PubChem:CID71660315
|
Local ready
Direct docking supported
|
|
E3L055965
BDB055965
|
BDBM50434408
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)CO
|
C26H43ClN4O4 511.107000 |
WLAHFWWGPAVVEZ-VCOUNFBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434408; PubChem:CID66645544
|
Local ready
Direct docking supported
|
|
E3L055966
BDB055966
|
BDBM50434409
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)O
|
C25H41ClN4O4 497.080000 |
ZEBMJHGBRIEULL-CUWPLCDZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434409; PubChem:CID66645466
|
Local ready
Direct docking supported
|
|
E3L055967
BDB055967
|
BDBM50434410
CC(C)CNC(=O)C(C)(C)C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C
|
C24H38ClFN4O3 485.044000 |
MNPZPSAKVWLMFE-ICSRJNTNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434410; PubChem:CID71659968
|
Local ready
Direct docking supported
|
|
E3L055968
BDB055968
|
BDBM50434411
Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCC(C)(C)C)CC1=O
|
C25H41FN4O3 464.626000 |
DSPBWNRCZFNAOE-LMNJBCLMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434411; PubChem:CID24966890
|
Local ready
Direct docking supported
|
|
E3L055969
BDB055969
|
BDBM50434412
C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C
|
C24H39ClN4O3 467.054000 |
FXPKMZCASOQWPK-KPFFTGBYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434412; PubChem:CID24966889
|
Local ready
Direct docking supported
|
|
E3L055970
BDB055970
|
BDBM50434413
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C
|
C25H41ClN4O3 481.081000 |
GLANVCJTCYFHJI-LMNJBCLMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434413; PubChem:CID44610811
|
Local ready
Direct docking supported
|
|
E3L055971
BDB055971
|
BDBM50434414
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(C)(C)C
|
C26H43ClN4O3 495.108000 |
NEQDILQJMJOEBZ-VCOUNFBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434414; PubChem:CID66645882
|
Local ready
Direct docking supported
|
|
E3L055972
BDB055972
|
BDBM50434415
CC(C)NC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C
|
C24H39ClN4O3 467.054000 |
XBJAAHLNRSQPKT-CUWPLCDZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434415; PubChem:CID66645650
|
Local ready
Direct docking supported
|
|
E3L055973
BDB055973
|
BDBM50434416
CC(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(C)C
|
C25H41ClN4O3 481.081000 |
PFTSDNDKPRDAPK-VCOUNFBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434416; PubChem:CID66645852
|
Local ready
Direct docking supported
|
|
E3L055974
BDB055974
|
BDBM50434417
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(F)ccc2C)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C31H47FN4O4 558.739000 |
RADDHQZPQLOLFQ-QTOHIZMFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434417
|
Local ready
Direct docking supported
|
|
E3L055975
BDB055975
|
BDBM50434418
Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)N[C@H]2C3CC4CC2C[C@](O)(C4)C3)C(C)C)CC1=O
|
C32H49FN4O4 572.766000 |
ZQSNFIDVGKQLCF-MTVVADMESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434418
|
Local ready
Direct docking supported
|
|
E3L055976
BDB055976
|
BDBM50434419
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C30H44ClFN4O4 579.157000 |
WIKACCNWRBUOFC-MKBSXABLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434419
|
Local ready
Direct docking supported
|
|
E3L055977
BDB055977
|
BDBM50434420
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2cc(F)ccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C31H46ClFN4O4 593.184000 |
YLBAJFNJBXXSBQ-UZSLBGTOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434420
|
Local ready
Direct docking supported
|
|
E3L055978
BDB055978
|
BDBM50434421
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2
|
C31H46ClN5O4 588.193000 |
KWVRUVRFGUYXOQ-GTDADLLQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434421; PubChem:CID53232833
|
Local ready
Direct docking supported
|
|
E3L055979
BDB055979
|
BDBM50434422
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC12CC3CC(CC(O)(C3)C1)C2
|
C31H47ClN4O4 575.194000 |
HLAQKRNXANUYHB-SKSRINFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434422; PubChem:CID73350489
|
Local ready
Direct docking supported
|
|
E3L055980
BDB055980
|
BDBM50434423
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2
|
C30H45ClN4O4 561.167000 |
MGQQKSSUXHKDSK-XVQDYQMWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434423
|
Local ready
Direct docking supported
|