| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008281
BDB008281
|
BDBM205406
CNC(C)C(=O)Nc1cc(-c2cncc3ccn(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C23H22ClN7O2 463.929000 |
PGUWLFVOCFDUHZ-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205406; PubChem:CID117902822
|
Local ready
Direct docking supported
|
|
E3L008282
BDB008282
|
BDBM205407
CNC(C)C(=O)Nc1cc(-c2cccc3cncc(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C25H23ClN6O2 474.952000 |
SOZXCUHRCMBRSI-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205407; PubChem:CID117914855
|
Local ready
Direct docking supported
|
|
E3L008283
BDB008283
|
BDBM205408
CNC(C)C(=O)Nc1cc(-c2c(Cl)cnc3ccccc23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C24H20Cl2N6O2 495.370000 |
GMMQYLICBHTHGS-UHFFFAOYSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM205408; PubChem:CID117902433
|
Local ready
Direct docking supported
|
|
E3L008284
BDB008284
|
BDBM205409
Cc1cccc2ccn(-c3cc(NC(=O)c4ccc(Cl)cn4)nc(NC(=O)C(C)N)c3)c12
|
C23H21ClN6O2 448.914000 |
KFHCXGVMKFRQOC-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205409; PubChem:CID117902737
|
Local ready
Direct docking supported
|
|
E3L008285
BDB008285
|
BDBM205410
CC(N)C(=O)Nc1cc(Cl)cc(NC(=O)c2ccccn2)n1
|
C14H14ClN5O2 319.752000 |
ZCWCDZGQFPATQN-UHFFFAOYSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM205410; PubChem:CID117902638
|
Local ready
Direct docking supported
|
|
E3L008286
BDB008286
|
BDBM205411
Cc1ccc(C(=O)Nc2cccc(NC(=O)C(C)N)n2)nc1
|
C15H17N5O2 299.334000 |
ROVZMWSOFDHYRD-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205411; PubChem:CID117902761
|
Local ready
Direct docking supported
|
|
E3L008287
BDB008287
|
BDBM205412
CNC(C)C(=O)Nc1cc(-c2nccc3c(=O)n(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C23H23ClN8O3 494.943000 |
SGRAOLYSYQCFFM-UHFFFAOYSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM205412; PubChem:CID117902938
|
Local ready
Direct docking supported
|
|
E3L008288
BDB008288
|
BDBM205413
CNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)c(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C25H27ClN8O2 506.998000 |
FCWUYYPTTRQZJI-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205413; PubChem:CID90659741
|
Local ready
Direct docking supported
|
|
E3L008289
BDB008289
|
BDBM205415
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(NC(=O)c2ncc(Cl)cc2C)n1
|
C23H24ClN9O2 493.959000 |
ALNLPAIJAAORAJ-UHFFFAOYSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM205415; PubChem:CID117902740
|
Local ready
Direct docking supported
|
|
E3L008290
BDB008290
|
BDBM205416
CNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)nn(C)c23)cc(NC(=O)c2ncc(Cl)cc2F)n1
|
C23H23ClFN9O2 511.949000 |
NSFLHGPXAPXKSS-UHFFFAOYSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM205416; PubChem:CID117902613
|
Local ready
Direct docking supported
|
|
E3L008291
BDB008291
|
BDBM205417
CNC(C)C(=O)Nc1cc(-c2nc(OC)nc3c(C)nn(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
|
C23H24ClN9O3 509.958000 |
ZRIVTYCCLPMNRZ-UHFFFAOYSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM205417; PubChem:CID117903430
|
Local ready
Direct docking supported
|
|
E3L008292
BDB008292
|
BDBM205429
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)OC(C)(C)C)c1nnc(C)n1-2
|
C23H25ClN4O2S 456.999000 |
DNVXATUJJDPFDM-QGZVFWFLSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM205429; PubChem:CID49871818
|
Local ready
Direct docking supported
|
|
E3L008293
BDB008293
|
Celastrol
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C
|
C29H38O4 450.619000 |
KQJSQWZMSAGSHN-JJWQIEBTSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM205457; PubChem:CID122724
|
Local ready
Direct docking supported
|
|
E3L008294
BDB008294
|
BDBM205480
Cc1nc(C)c(Cn2c(=O)n(-c3ncns3)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
|
C19H20N6O3S3 476.609000 |
FLUZEVGWXJVSPX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM205480
|
Local ready
Direct docking supported
|
|
E3L008295
BDB008295
|
BDBM206000
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3CCN5c6ccc7c(c6OC[C@@H]5C3)CN(C3CCC(=O)NC3=O)C7=O)C4)nc2)N1CC(F)F
|
C45H51F2N9O4 819.958000 |
CJGXXJJNOAUSEF-MJMXDPSOSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206000
|
Local ready
Direct docking supported
|
|
E3L008296
BDB008296
|
BDBM206001
COc1ccc(C(=O)N2CCC(CN3CCN(c4ncc([C@@H]5c6[nH]c7ccccc7c6C[C@@H](C)N5CC(F)F)cn4)CC3)CC2)cc1N1CCC(=O)NC1=O
|
C40H47F2N9O4 755.871000 |
OMPNJRGJQFFFIQ-TWEZTRHFSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206001
|
Local ready
Direct docking supported
|
|
E3L008297
BDB008297
|
BDBM206002
CS(=O)(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cc(N2CCC3(CCN(C(=O)CN4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6)CC3)CC2)cc1F
|
C44H47F2N7O6S 839.966000 |
LWPPWLCUZBKBGQ-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206002
|
Local ready
Direct docking supported
|
|
E3L008298
BDB008298
|
BDBM206003
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CCC(CN5CCN6c7cc8c(cc7OC[C@@H]6C5)C(=O)N(C5CCC(=O)NC5=O)C8)CC4)CC3)nc2)N1CC(C)(C)F
|
C49H60FN9O4 858.076000 |
NRTUNPNKLRJYEH-YVXQIVLDSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206003
|
Local ready
Direct docking supported
|
|
E3L008299
BDB008299
|
BDBM206004
COc1cc(N2CCC(CN3CCN4c5cc6c(cc5OC[C@@H]4C3)C(=O)N(C3CCC(=O)NC3=O)C6)CC2)ccc1C1c2[nH]c3ccccc3c2C[C@@H](C)N1CC(F)F
|
C45H51F2N7O5 807.943000 |
ZHTPIQFRAPUAAQ-NZLHRPIVSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206004
|
Local ready
Direct docking supported
|
|
E3L008300
BDB008300
|
BDBM206005
C[C@@H]1Cc2c([nH]c3ccccc23)C(c2cnc(N3CCC4(CC3)CC(CN3CCN5c6cc7c(cc6OC[C@@H]5C3)C(=O)N(C3CCC(=O)NC3=O)C7)C4)nc2)N1CC(F)F
|
C45H51F2N9O4 819.958000 |
VXOVPXRYBIBHEU-FIJHZZDNSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM206005
|
Local ready
Direct docking supported
|