| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002901
BDB002901
|
8-Fluoroindolo[2,1-b]quinazoline-6,12-dione
O=C1c2cc(F)ccc2-n2c1nc1ccccc1c2=O
|
C15H7FN2O2 266.231000 |
UXBGZQXHNVNPFT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48009; PubChem:CID478574
|
Local ready
Direct docking supported
|
|
E3L002902
BDB002902
|
BDBM48026
CCc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1
|
C24H20N2O4S 432.501000 |
GRBKSRVYRYYYRE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48026; PubChem:CID1184125
|
Local ready
Direct docking supported
|
|
E3L002903
BDB002903
|
BDBM48027
Cc1cc(C)c(S(=O)(=O)N=C2C=C(Nc3ccc(C(=O)O)cc3)C(=O)c3ccccc32)c(C)c1
|
C26H22N2O5S 474.538000 |
SQJSGUXHLPYCJY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48027; PubChem:CID5143637
|
Local ready
Direct docking supported
|
|
E3L002904
BDB002904
|
BDBM48028
Cc1ccc(S(=O)(=O)N=C2C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1
|
C24H18N2O5S 446.484000 |
DMZUKUUYYIHXNG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48028; PubChem:CID1184128
|
Local ready
Direct docking supported
|
|
E3L002905
BDB002905
|
BDBM48029
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O
|
C25H18N2O7S 490.493000 |
AEAJAFKVDVPSKY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48029; PubChem:CID1652968
|
Local ready
Direct docking supported
|
|
E3L002906
BDB002906
|
BDBM48030
O=C(O)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3F)C(=O)c3ccccc32)cc1
|
C23H15FN2O5S 450.447000 |
LWAKZCIYRXJCJV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48030; PubChem:CID1652896
|
Local ready
Direct docking supported
|
|
E3L002907
BDB002907
|
BDBM48035
CCc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(C(=O)O)cc3)C(=O)c3ccccc32)cc1
|
C25H20N2O5S 460.511000 |
OQGQFSTZZPLSSR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48035; PubChem:CID1184126
|
Local ready
Direct docking supported
|
|
E3L002908
BDB002908
|
BDBM48036
CCc1ccc(S(=O)(=O)N=C2C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1
|
C25H20N2O5S 460.511000 |
RYVRPCQNGCQISY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48036; PubChem:CID1184133
|
Local ready
Direct docking supported
|
|
E3L002909
BDB002909
|
BDBM48038
Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(C(=O)O)cc2)c2ccccc2C1=O
|
C24H18N2O5S 446.484000 |
QMMIFWYVGNVUCF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48038; PubChem:CID1652894
|
Local ready
Direct docking supported
|
|
E3L002910
BDB002910
|
BDBM48039
Cc1ccc(S(=O)(=O)N=C2C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)c(C)c1
|
C25H20N2O5S 460.511000 |
RUWHEBZPTCVEMQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48039; PubChem:CID1184132
|
Local ready
Direct docking supported
|
|
E3L002911
BDB002911
|
BDBM48124
Cc1nc(NC2=NCN(CCCN3CCOCC3)CN2)nc2c(C)cccc12
|
C20H29N7O 383.500000 |
KUXGPKHPAUIQQQ-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM48124; PubChem:CID666009
|
Local ready
Direct docking supported
|
|
E3L002912
BDB002912
|
4-Chlorophenyl 4-phenyl-1,2,3-thiadiazol-5-yl sulfone
O=S(=O)(c1ccc(Cl)cc1)c1snnc1-c1ccccc1
|
C14H9ClN2O2S2 336.825000 |
CENHMPXIORHGRL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM48248; PubChem:CID4363979
|
Local ready
Direct docking supported
|
|
E3L002913
BDB002913
|
BDBM48249
CC(=O)N(Cc1ccc(F)cc1)c1c(N=CCc2ccccc2)c(O)c2ccccc2c1O
|
C27H23FN2O3 442.490000 |
SNEJJJQTERDMJG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48249; PubChem:CID91896750
|
Local ready
Direct docking supported
|
|
E3L002914
BDB002914
|
BDBM48281
COCCn1c(C)cc(C2=NN=C(Nc3ccccc3F)SC2)c1C
|
C18H21FN4OS 360.458000 |
DHXSHESWLZVTEU-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM48281; PubChem:CID135476676
|
Local ready
Direct docking supported
|
|
E3L002915
BDB002915
|
BDBM48474
COc1ccc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1
|
C19H16N2O3S 352.415000 |
QVNUNVKGXKPTJR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48474; PubChem:CID3553766
|
Local ready
Direct docking supported
|
|
E3L002916
BDB002916
|
BDBM48482
COc1ccc(C(=O)c2c(C(F)(F)F)oc3c2C(=O)c2ccccc2C3=O)cc1
|
C21H11F3O5 400.308000 |
YKGNFJJJTAQTNP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48482; PubChem:CID1368249
|
Local ready
Direct docking supported
|
|
E3L002917
BDB002917
|
1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
O=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12
|
C15H10N4O 262.272000 |
WNTCOOOGTSGZLG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM48678; PubChem:CID901348
|
Local ready
Direct docking supported
|
|
E3L002918
BDB002918
|
1-Cetylpyridin-1-ium-4-carboxamide;bromide
CCCCCCCCCCCCCCCC[n+]1ccc(C(N)=O)cc1
|
C22H39N2O+ 347.567000 |
VRBVMFOHQXSDDI-UHFFFAOYSA-O | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48708; PubChem:CID422153
|
Local ready
Direct docking supported
|
|
E3L002919
BDB002919
|
BDBM48732
[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C]N1[C]=[C]C(=[C][N+]=O)[C]=[C]1
|
C22N2O+ 308.255000 |
RXAMACVYXHTIAQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM48732
|
Local ready
Direct docking supported
|
|
E3L002920
BDB002920
|
3-(Diethylcarbamoyl)-1-hexadecylpyridinium
CCCCCCCCCCCCCCCC[n+]1cccc(C(=O)N(CC)CC)c1
|
C26H47N2O+ 403.675000 |
HPBFEAUPKBNRCI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM48733; PubChem:CID4324080
|
Local ready
Direct docking supported
|