| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051461
BDB051461
|
BDBM50300018
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnco4)cc3)nc12
|
C17H12N4O2 304.309000 |
FFFUQLICAJOHFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300018; PubChem:CID44541922
|
Local ready
Direct docking supported
|
|
E3L051462
BDB051462
|
BDBM50300019
NC(=O)c1cccc2[nH]c(-c3ccc(-c4c[nH]cn4)cc3)nc12
|
C17H13N5O 303.325000 |
OFNRNSWBCGLJIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300019; PubChem:CID44541767
|
Local ready
Direct docking supported
|
|
E3L051463
BDB051463
|
BDBM50300020
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc12
|
C17H13N5O 303.325000 |
TZFGFYOHWMJQCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300020; PubChem:CID44541924
|
Local ready
Direct docking supported
|
|
E3L051464
BDB051464
|
BDBM50300021
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cscn4)cc3)nc12
|
C17H12N4OS 320.377000 |
ANHUSSWFZUAVMM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300021; PubChem:CID44542210
|
Local ready
Direct docking supported
|
|
E3L051465
BDB051465
|
BDBM50300022
Cc1nc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)co1
|
C18H14N4O2 318.336000 |
KSEIQLXWTBSWRU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300022; PubChem:CID44541770
|
Local ready
Direct docking supported
|
|
E3L051466
BDB051466
|
BDBM50300023
NC(=O)c1cccc2[nH]c(-c3ccc(-c4csc(N)n4)cc3)nc12
|
C17H13N5OS 335.392000 |
WYCHBHLAGKGTGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300023; PubChem:CID44542211
|
Local ready
Direct docking supported
|
|
E3L051467
BDB051467
|
BDBM50300024
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnn[nH]4)cc3)nc12
|
C15H11N7O 305.301000 |
HYLJXBLJEMWWFA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300024; PubChem:CID44541773
|
Local ready
Direct docking supported
|
|
E3L051468
BDB051468
|
BDBM50300025
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=O)o[nH]4)cc3)nc12
|
C16H11N5O3 321.296000 |
HDKPPPCFAUNASD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300025; PubChem:CID135927976
|
Local ready
Direct docking supported
|
|
E3L051469
BDB051469
|
BDBM50300028
COc1cc2nc(N3CCCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
|
C28H38N6O2 490.652000 |
OSXFATOLZGZLSK-UHFFFAOYSA-N | O96028, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase NSD3, Histone-lysine N-methyltransferase, H3 lysine-36 specific |
BindingDB, PubChem
BindingDB:BDBM50300028; PubChem:CID25150857
|
Local ready
Direct docking supported
|
|
E3L051470
BDB051470
|
BDBM50300114
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C27H32Cl2FN3O4 552.474000 |
FYHKPZFIVNTTHR-ZZWVMVCISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300114
|
Local ready
Direct docking supported
|
|
E3L051471
BDB051471
|
BDBM50300115
COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C28H34Cl2FN3O4 566.501000 |
PVSGKYWYWGWPIF-WZRJCJTJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300115
|
Local ready
Direct docking supported
|
|
E3L051472
BDB051472
|
BDBM50300116
CN1CCN(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C30H38Cl2FN5O2 590.571000 |
BXWXGVCDVQYCNW-HVHHDALESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300116
|
Local ready
Direct docking supported
|
|
E3L051473
BDB051473
|
BDBM50300117
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C27H33Cl2N3O4 534.484000 |
NAOQNYFVXDLIDP-NXKDEWIBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50300117; PubChem:CID44606646
|
Local ready
Direct docking supported
|
|
E3L051474
BDB051474
|
BDBM50300118
CN1CCC(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C31H39Cl2FN4O2 589.583000 |
COBIADBVPGXSFP-OHMLLRHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300118
|
Local ready
Direct docking supported
|
|
E3L051475
BDB051475
|
BDBM50300119
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C27H32Cl2FN3O4 552.474000 |
UNXQGBMZYKHQCO-LZITZJIASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50300119; PubChem:CID25001753
|
Local ready
Direct docking supported
|
|
E3L051476
BDB051476
|
BDBM50300120
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C26H30Cl2FN3O4 538.447000 |
BROUFXKDLPNALC-GTJCPKOCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300120
|
Local ready
Direct docking supported
|
|
E3L051477
BDB051477
|
BDBM50300121
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C27H32Cl2FN3O4 552.474000 |
UNXQGBMZYKHQCO-NVHWNKAKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50300121; PubChem:CID24877503
|
Local ready
Direct docking supported
|
|
E3L051478
BDB051478
|
BDBM50300122
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)CCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Cc2cc(O)ccc21)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O)CC1
|
C85H97ClN14O20S 1702.309000 |
XZGDYCGOFMWSIH-AQMVASGMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50300122
|
Local ready
Direct docking supported
|
|
E3L051479
BDB051479
|
(2e)-2-Imino-3-Methyl-5,5-Diphenylimidazolidin-4-One
CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N
|
C16H15N3O 265.316000 |
RNWLAFWLSSMCLN-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50300229; PubChem:CID15054176
|
Local ready
Direct docking supported
|
|
E3L051480
BDB051480
|
BDBM50300415
CCCCCCCCCCCCSc1c(Cl)c(=O)n(CCC(=O)OC)[s+]1[O-]
|
C19H32ClNO4S2 438.055000 |
SCZPCNQHBPMVMI-UHFFFAOYSA-N | Q92831 | Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50300415; PubChem:CID44612939
|
Local ready
Direct docking supported
|