| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016641
BDB016641
|
US10246467, Example I-67
CCOc1cccc(CN2[C@H]3COc4c5ccc(C(=O)O)cc5nn4[C@H]3[C@H](c3cccc(Cl)c3F)[C@]23C(=O)Nc2cc(Cl)ccc23)c1
|
C35H27Cl2FN4O5 673.528000 |
ATDZTLRGKQSJFT-FHBKDIMNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374770; PubChem:CID130376471
|
Local ready
Direct docking supported
|
|
E3L016642
BDB016642
|
US10246467, Example I-69
CCOc1cccc(CN2[C@@H]3COc4c5ccc(C(=O)O)cc5nn4[C@@H]3[C@@H](c3cccc(Cl)c3F)[C@@]23C(=O)Nc2cc(Cl)ccc23)c1
|
C35H27Cl2FN4O5 673.528000 |
ATDZTLRGKQSJFT-ZNJJBAKASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374772; PubChem:CID130376467
|
Local ready
Direct docking supported
|
|
E3L016643
BDB016643
|
US10246467, Example I-70
CCOc1cccc(CN2[C@H]3COc4c5cc(C(=O)O)ccc5nn4[C@H]3[C@H](c3cccc(Cl)c3F)[C@]23C(=O)Nc2cc(Cl)ccc23)c1
|
C35H27Cl2FN4O5 673.528000 |
QVRSVEKTVHFJFD-FHBKDIMNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374773; PubChem:CID130376468
|
Local ready
Direct docking supported
|
|
E3L016644
BDB016644
|
US10246467, Example I-72
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Br)c1F
|
C30H23BrClFN4O4 637.893000 |
YKLDXCDBLJCTDC-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374774; PubChem:CID130376469
|
Local ready
Direct docking supported
|
|
E3L016645
BDB016645
|
US10246467, Example I-74
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)cc(Cl)c1F
|
C30H22Cl3FN4O4 627.887000 |
NXSBSZYEYXWHNG-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374775; PubChem:CID130376472
|
Local ready
Direct docking supported
|
|
E3L016646
BDB016646
|
US10246467, Example I-76
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccc(F)c(Cl)c1F
|
C30H22Cl2F2N4O4 611.432000 |
JLAUWTQRXSHDPG-MCFYFMLRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374776; PubChem:CID130376473
|
Local ready
Direct docking supported
|
|
E3L016647
BDB016647
|
US10246467, Example I-78
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccnc(Cl)c1F
|
C29H22Cl2FN5O4 594.430000 |
ZFIVKXJNJGCIFB-MIMQBZNGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374777; PubChem:CID130376474
|
Local ready
Direct docking supported
|
|
E3L016648
BDB016648
|
US10246467, Example I-80
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccnc(Br)c1F
|
C29H22BrClFN5O4 638.881000 |
ZITWZAOLQUPNCF-MIMQBZNGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374778; PubChem:CID130376475
|
Local ready
Direct docking supported
|
|
E3L016649
BDB016649
|
US10246467, Example I-82
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)nc(Cl)c1
|
C29H22Cl3N5O4 610.885000 |
FPVVWXQDZUQRAS-JDFFVWOXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374779; PubChem:CID130376476
|
Local ready
Direct docking supported
|
|
E3L016650
BDB016650
|
US10246467, Example I-84
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3nc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C29H22Cl2FN5O4 594.430000 |
ILAHEWONKXXSHQ-YMFUCMRSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374780; PubChem:CID130376477
|
Local ready
Direct docking supported
|
|
E3L016651
BDB016651
|
US10246467, Example I-86
O=C(O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CCO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H25Cl2FN4O4 607.469000 |
UYOOIBOJVXNQAH-NCRFVDKVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374781; PubChem:CID130376478
|
Local ready
Direct docking supported
|
|
E3L016652
BDB016652
|
US10246467, Example I-87
COc1cc2c3n(nc2cc1C(=O)O)[C@@H]1[C@H](CCO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C32H27Cl2FN4O5 637.495000 |
PEHPVEPXWZTJFP-RNALLYIPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374782; PubChem:CID130376479
|
Local ready
Direct docking supported
|
|
E3L016653
BDB016653
|
US10246467, Example I-88
O=C(O)c1ccc2nn3c(c2c1)OCC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O4 607.469000 |
MTMCGLLGXUUUNF-NCRFVDKVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374783; PubChem:CID130376480
|
Local ready
Direct docking supported
|
|
E3L016654
BDB016654
|
US10246467, Example I-90
NC(=O)c1ccc2nn3c(c2c1)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C30H24Cl2FN5O3 592.458000 |
XEJPOKGIITWYMH-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374784; PubChem:CID130376483
|
Local ready
Direct docking supported
|
|
E3L016655
BDB016655
|
US10246467, Example I-91
CCN(CC)C(=O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C34H32Cl2FN5O3 648.566000 |
JGGRXRMUYIDZDJ-ZULBXXEESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374785; PubChem:CID130376484
|
Local ready
Direct docking supported
|
|
E3L016656
BDB016656
|
US10246467, Example I-92
NC(=O)c1ccc2c3n(nc2c1)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccnc(Cl)c1F
|
C29H23Cl2FN6O3 593.446000 |
PJCZBMZDQXPJSN-MIMQBZNGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374786; PubChem:CID130376485
|
Local ready
Direct docking supported
|
|
E3L016657
BDB016657
|
US10246467, Example I-105
O=C(O)c1cc2c3n(nc2cc1F)[C@@H]1[C@H](CO3)N(CC2CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H22Cl2F2N4O4 611.432000 |
LGRCOTJIEFWWTP-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374787; PubChem:CID130376492
|
Local ready
Direct docking supported
|
|
E3L016658
BDB016658
|
US10246467, Example I-107
O=C(O)c1cc2nn3c(c2cc1F)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C30H22Cl2F2N4O4 611.432000 |
WSHHPNWMQUMLND-HLNVOFQHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374788; PubChem:CID130376493
|
Local ready
Direct docking supported
|
|
E3L016659
BDB016659
|
US10246467, Example I-109
Cc1c(C(=O)O)ccc2nn3c(c12)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O4 607.469000 |
BEGADGRKUSCXTH-RXRCSWILSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374789; PubChem:CID130376494
|
Local ready
Direct docking supported
|
|
E3L016660
BDB016660
|
US10246467, Example I-111
Cc1c(C(=O)O)ccc2nn3c(c12)OC[C@@H]1[C@H]3[C@@H](c2cccc(Cl)c2F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O4 607.469000 |
BEGADGRKUSCXTH-OVRLWXHPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374791; PubChem:CID130376495
|
Local ready
Direct docking supported
|