| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051081
BDB051081
|
BDBM50287987
N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCCc2c[nH]c3ccccc23)c1
|
C24H27N7O5 493.524000 |
KTPKPDHZXPMGRV-IBGZPJMESA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50287987; PubChem:CID145956154
|
Local ready
Direct docking supported
|
|
E3L051082
BDB051082
|
BDBM50287988
N=C(N)Nc1cccc(C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NCc2ccc(-c3ccccc3)cc2)c1
|
C27H28N6O5 516.558000 |
LPWSHOGTPIIOBC-QFIPXVFZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50287988; PubChem:CID145953608
|
Local ready
Direct docking supported
|
|
E3L051083
BDB051083
|
BDBM50287989
C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1ccccc1
|
C22H26N6O5 454.487000 |
QYKHSZCOMAXNCJ-GUYCJALGSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50287989; PubChem:CID145949722
|
Local ready
Direct docking supported
|
|
E3L051084
BDB051084
|
BDBM50287990
C[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)c1cccc(NC(=N)N)c1)c1ccccc1
|
C22H26N6O5 454.487000 |
QYKHSZCOMAXNCJ-DYVFJYSZSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM50287990; PubChem:CID145956101
|
Local ready
Direct docking supported
|
|
E3L051085
BDB051085
|
BDBM50288104
COc1ccc([C@H]2C[C@@]23N=C(c2ccccc2)OC3=O)cc1
|
C18H15NO3 293.322000 |
NFJWLBFNZOFFPU-CRAIPNDOSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50288104; PubChem:CID832360
|
Local ready
Direct docking supported
|
|
E3L051086
BDB051086
|
BDBM50288516
CC(C)(C)OC(=O)N1CCC2(CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)C1
|
C28H31FN4O4 506.578000 |
MOYOUBMGSIHZJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288516; PubChem:CID145957836
|
Local ready
Direct docking supported
|
|
E3L051087
BDB051087
|
BDBM50288517
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC12CCCCC2
|
C24H24FN3O2 405.473000 |
ZCDZPWJYQAZKED-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288517; PubChem:CID145974066
|
Local ready
Direct docking supported
|
|
E3L051088
BDB051088
|
BDBM50288518
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(COC2)C1
|
C21H18FN3O3 379.391000 |
XGCWPAJMWZAIBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288518; PubChem:CID145953485
|
Local ready
Direct docking supported
|
|
E3L051089
BDB051089
|
BDBM50288519
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCNC2)C1
|
C23H23FN4O2 406.461000 |
CTOKGTMWBWWEDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288519; PubChem:CID145952286
|
Local ready
Direct docking supported
|
|
E3L051090
BDB051090
|
BDBM50288520
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2(CCCCC2)C1
|
C24H24FN3O2 405.473000 |
ITXDLXUWYCUBOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288520; PubChem:CID145959799
|
Local ready
Direct docking supported
|
|
E3L051091
BDB051091
|
BDBM50288521
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2
|
C29H33FN4O4 520.605000 |
SLBUZTZXRPRDNX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288521; PubChem:CID145974539
|
Local ready
Direct docking supported
|
|
E3L051092
BDB051092
|
BDBM50288522
CC(C)(C)OC(=O)N1CC2(CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C2)C1
|
C27H29FN4O4 492.551000 |
LMNMXSZEVASZMR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288522; PubChem:CID145952206
|
Local ready
Direct docking supported
|
|
E3L051093
BDB051093
|
BDBM50288523
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)CC2
|
C30H35FN4O4 534.632000 |
QGMDXYVOQGGEII-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288523; PubChem:CID145972257
|
Local ready
Direct docking supported
|
|
E3L051094
BDB051094
|
BDBM50288524
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCN(C(=O)C3CC3)CC2)C1
|
C28H29FN4O3 488.563000 |
DPRULNDJHOQGBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288524; PubChem:CID145959473
|
Local ready
Direct docking supported
|
|
E3L051095
BDB051095
|
BDBM50288525
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCNCC2)C1
|
C24H25FN4O2 420.488000 |
VHBMKZLBULTYBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288525; PubChem:CID145954904
|
Local ready
Direct docking supported
|
|
E3L051096
BDB051096
|
BDBM50288526
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCN(C(=O)C3CC3)C2)C1
|
C27H27FN4O3 474.536000 |
PVWNOELEFNMYJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288526; PubChem:CID145957012
|
Local ready
Direct docking supported
|
|
E3L051097
BDB051097
|
BDBM50288527
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCCC2)C1
|
C24H24FN3O2 405.473000 |
FFHIZHPGEHXURA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288527; PubChem:CID145955102
|
Local ready
Direct docking supported
|
|
E3L051098
BDB051098
|
BDBM50288528
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(C1)CN(C(=O)C1CC1)C2
|
C26H25FN4O3 460.509000 |
ABOHNRREIXUDIK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288528; PubChem:CID145952335
|
Local ready
Direct docking supported
|
|
E3L051099
BDB051099
|
BDBM50288529
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCC2(CCC2)C1
|
C23H22FN3O2 391.446000 |
ZUFXUAYAVFEJAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288529; PubChem:CID145958253
|
Local ready
Direct docking supported
|
|
E3L051100
BDB051100
|
Azd-2461
COC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H22FN3O3 395.434000 |
HYNBNUYQTQIHJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50288530; PubChem:CID44199317
|
Local ready
Direct docking supported
|