| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002101
BDB002101
|
BDBM41575
COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
|
C23H28N8O2 448.531000 |
SWTRIZHCIUWGAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM41575; PubChem:CID24993189
|
Local ready
Direct docking supported
|
|
E3L002102
BDB002102
|
BDBM41591
COc1ccc(NC(=O)C(Cl)=C(Cl)[S+]([O-])Cc2ccc(C)cc2)cn1
|
C17H16Cl2N2O3S 399.299000 |
UKBGNIASULYWLD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM41591; PubChem:CID3767974
|
Local ready
Direct docking supported
|
|
E3L002103
BDB002103
|
BDBM41749
COc1ccccc1C1SCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1
|
C17H16F3NO3S2 403.447000 |
IANULKJFHGLGOX-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM41749; PubChem:CID646735
|
Local ready
Direct docking supported
|
|
E3L002104
BDB002104
|
BDBM41816
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1
|
C22H18N2O3S2 422.531000 |
LCGOLHKLWOZZSZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM41816; PubChem:CID992470
|
Local ready
Direct docking supported
|
|
E3L002105
BDB002105
|
BDBM41826
COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O
|
C22H16N2O5S2 452.513000 |
SQTXZQUPJDPRBX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM41826; PubChem:CID4559794
|
Local ready
Direct docking supported
|
|
E3L002106
BDB002106
|
BDBM41831
CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1
|
C17H14N2O2S 310.378000 |
ZTBUBWXLRCXSOT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM41831
|
Local ready
Direct docking supported
|
|
E3L002107
BDB002107
|
BDBM41832
CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C
|
C17H14N2O2S 310.378000 |
OBPOWEVMSNKZCM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM41832
|
Local ready
Direct docking supported
|
|
E3L002108
BDB002108
|
5,6,7,8-Tetrahydro-1,2,4-benzotriazin-3-amine
Nc1nnc2c(n1)CCCC2
|
C7H10N4 150.185000 |
KXHIWWKCYUHDPK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42140; PubChem:CID591407
|
Local ready
Direct docking supported
|
|
E3L002109
BDB002109
|
BDBM42151
O=C1C2=C(c3ccccc31)[N+](=O)[C@@H]1CCCC[C@@H]1N2[O-]
|
C15H14N2O3 270.288000 |
CSPAZJUKGODKGZ-NEPJUHHUSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42151; PubChem:CID1886595
|
Local ready
Direct docking supported
|
|
E3L002110
BDB002110
|
2-Anilino-3-piperidin-1-ylnaphthalene-1,4-dione
O=C1C(Nc2ccccc2)=C(N2CCCCC2)C(=O)c2ccccc21
|
C21H20N2O2 332.403000 |
ZTVZJPLQFQZWPX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42195; PubChem:CID3147878
|
Local ready
Direct docking supported
|
|
E3L002111
BDB002111
|
10-(4-Chlorophenyl)[1,3]thiazolo[3,2-a]perimidine
Clc1ccc(C2=CSC3=Nc4cccc5cccc(c45)N23)cc1
|
C19H11ClN2S 334.831000 |
QRFUTURFHZKKPS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42197; PubChem:CID1818715
|
Local ready
Direct docking supported
|
|
E3L002112
BDB002112
|
BDBM42209
O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1
|
C16H10N2O3 278.267000 |
WDKQLYHQNBQDHB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42209; PubChem:CID871656
|
Local ready
Direct docking supported
|
|
E3L002113
BDB002113
|
GNF-Pf-4576
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
|
C22H22N2O2 346.430000 |
SRBBCQOOXRLZOZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42213; PubChem:CID2833933
|
Local ready
Direct docking supported
|
|
E3L002114
BDB002114
|
3-(4-fluoroanilino)-2H-isoquinolin-1-one
O=c1[nH]c(Nc2ccc(F)cc2)cc2ccccc12
|
C15H11FN2O 254.264000 |
PEHOEPBOSMZVKX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42216; PubChem:CID2323972
|
Local ready
Direct docking supported
|
|
E3L002115
BDB002115
|
2-Morpholino-3-(p-tolylamino)naphthalene-1,4-dione
Cc1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
|
C21H20N2O3 348.402000 |
UBKOWVOSSLUPDI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42219; PubChem:CID2893413
|
Local ready
Direct docking supported
|
|
E3L002116
BDB002116
|
BDBM42221
O=C(C=Cc1ccc(O)cc1)c1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
|
C30H26N2O4 478.548000 |
XJOPTGLQFWIKGR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42221; PubChem:CID635448
|
Local ready
Direct docking supported
|
|
E3L002117
BDB002117
|
BDBM42222
CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
|
C22H20N2O4 376.412000 |
QVZQFHHACGJXKD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42222; PubChem:CID2854583
|
Local ready
Direct docking supported
|
|
E3L002118
BDB002118
|
BDBM42223
O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21
|
C21H20N2O3 348.402000 |
WXKKXGUBCFUKNE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42223; PubChem:CID2850825
|
Local ready
Direct docking supported
|
|
E3L002119
BDB002119
|
BDBM42225
COc1ccc(NC(=O)/C(=C/c2cccnc2)NC(=O)c2cccs2)cc1
|
C20H17N3O3S 379.441000 |
QFXRNRYHUUPFCQ-ATVHPVEESA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM42225; PubChem:CID1919175
|
Local ready
Direct docking supported
|
|
E3L002120
BDB002120
|
BDBM42227
COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O
|
C22H22N2O3 362.429000 |
SKHLQEYQHYUBHY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM42227; PubChem:CID1388836
|
Local ready
Direct docking supported
|