| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055861
BDB055861
|
BDBM50432330
CN1CCC(c2nc3c(C(N)=O)cncc3[nH]2)CC1
|
C13H17N5O 259.313000 |
RBSGMMAZAIRXSM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50432330; PubChem:CID71580621
|
Local ready
Direct docking supported
|
|
E3L055862
BDB055862
|
BDBM50432331
CCCN1CCC(c2nc3c(C(N)=O)cncc3[nH]2)CC1
|
C15H21N5O 287.367000 |
GXXJUGPFJHOGND-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50432331; PubChem:CID71580620
|
Local ready
Direct docking supported
|
|
E3L055863
BDB055863
|
BDBM50432332
NC(=O)c1cncc2[nH]c(C3CCCNC3)nc12
|
C12H15N5O 245.286000 |
FHTSWAXKQUIXMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50432332; PubChem:CID71580616
|
Local ready
Direct docking supported
|
|
E3L055864
BDB055864
|
BDBM50432333
NC(=O)c1cncc2[nH]c(C3CCNCC3)nc12
|
C12H15N5O 245.286000 |
HOEVWIQPVHJYQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50432333; PubChem:CID71580615
|
Local ready
Direct docking supported
|
|
E3L055865
BDB055865
|
BDBM50432373
O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1
|
C25H22ClN5O3S 508.003000 |
QHUDPFOODLMGQO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50432373; PubChem:CID71583657
|
Local ready
Direct docking supported
|
|
E3L055866
BDB055866
|
BDBM50432398
Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1
|
C22H21N7O3 431.456000 |
IFFBOVLYGJAFKB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50432398; PubChem:CID57505507
|
Local ready
Direct docking supported
|
|
E3L055867
BDB055867
|
Oxazine 89
C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1
|
C19H15F4N5O2 421.354000 |
MELQHVBGGSKVJQ-YJBOKZPZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50432601; PubChem:CID71305058
|
Local ready
Direct docking supported
|
|
E3L055868
BDB055868
|
BDBM50432635
O=C(O)C[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C22H21Cl2NO4 434.319000 |
PLSLYOZGYCPTIL-TYPHKJRUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432635; PubChem:CID71663696
|
Local ready
Direct docking supported
|
|
E3L055869
BDB055869
|
BDBM50432636
CCC[C@H](C(=O)O)N1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
|
C28H26Cl2FNO4 530.423000 |
BPTXICQAEGSTHS-ZJSPYRCASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432636; PubChem:CID71305072
|
Local ready
Direct docking supported
|
|
E3L055870
BDB055870
|
BDBM50432637
O=C(O)C[C@@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO3 432.347000 |
OMAPWASVHLHIRY-UCNVEGJOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432637; PubChem:CID56591348
|
Local ready
Direct docking supported
|
|
E3L055871
BDB055871
|
BDBM50432638
O=C(O)C[C@@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C22H21Cl2NO4 434.319000 |
PLSLYOZGYCPTIL-CEWLAPEOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432638; PubChem:CID71544022
|
Local ready
Direct docking supported
|
|
E3L055872
BDB055872
|
BDBM50432639
O=C(O)C[C@H]1O[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C22H21Cl2NO4 434.319000 |
PLSLYOZGYCPTIL-HMXCVIKNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432639; PubChem:CID71663864
|
Local ready
Direct docking supported
|
|
E3L055873
BDB055873
|
BDBM50432640
O=C(O)C[C@@H]1C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO3 432.347000 |
OMAPWASVHLHIRY-XJABCFGWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432640; PubChem:CID71717127
|
Local ready
Direct docking supported
|
|
E3L055874
BDB055874
|
BDBM50432641
O=C(O)C[C@H]1C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO3 432.347000 |
OMAPWASVHLHIRY-AGHHOFFYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432641; PubChem:CID71716517
|
Local ready
Direct docking supported
|
|
E3L055875
BDB055875
|
BDBM50432642
O=C(O)C[C@@H]1C[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO3 432.347000 |
OMAPWASVHLHIRY-RBDMOPTHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432642; PubChem:CID60154111
|
Local ready
Direct docking supported
|
|
E3L055876
BDB055876
|
BDBM50432643
O=C(O)C[C@H]1O[C@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C22H21Cl2NO4 434.319000 |
PLSLYOZGYCPTIL-HLAWJBBLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432643; PubChem:CID71663699
|
Local ready
Direct docking supported
|
|
E3L055877
BDB055877
|
BDBM50432644
O=C(O)CC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO4 448.346000 |
RTDZBLVTLREENZ-NNWRFLSQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432644; PubChem:CID71663698
|
Local ready
Direct docking supported
|
|
E3L055878
BDB055878
|
BDBM50432645
CNCC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H26Cl2N2O2 433.379000 |
FODTWMGUVKCBDV-BDTNDASRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432645; PubChem:CID71663697
|
Local ready
Direct docking supported
|
|
E3L055879
BDB055879
|
BDBM50432646
O=C1[C@H](CCO)O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N1CC1CC1
|
C22H23Cl2NO3 420.336000 |
BTFDOQOPNARQSS-HBMCJLEFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432646; PubChem:CID71663529
|
Local ready
Direct docking supported
|
|
E3L055880
BDB055880
|
BDBM50432647
C=CC[C@@H]1O[C@@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O
|
C23H23Cl2NO2 416.348000 |
GYOAZTPSRBBAKY-BDTNDASRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50432647; PubChem:CID71663528
|
Local ready
Direct docking supported
|