| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003001
BDB003001
|
BDBM54763
CC(=O)N(C1=C(Cl)C(=O)c2ccccc2C1=O)c1ccc(C(=O)O)cc1
|
C19H12ClNO5 369.760000 |
SLPYZNNPGREBMV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM54763; PubChem:CID24761366
|
Local ready
Direct docking supported
|
|
E3L003002
BDB003002
|
BDBM54768
CC(C)(CS(=O)(=O)[O-])NC(=O)CC[N+](C)(C)CCO
|
C11H24N2O5S 296.389000 |
LUUUARBSUWGBDK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM54768; PubChem:CID1973720
|
Local ready
Direct docking supported
|
|
E3L003003
BDB003003
|
BDBM55106
Cc1cc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)no1
|
C13H9ClF3N3O4 363.679000 |
ABCRYGIZLVABPS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM55106; PubChem:CID3244573
|
Local ready
Direct docking supported
|
|
E3L003004
BDB003004
|
BDBM55315
CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1
|
C15H22N2O3S 310.419000 |
DTQAWNDSGCAZEY-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM55315; PubChem:CID1245049
|
Local ready
Direct docking supported
|
|
E3L003005
BDB003005
|
BDBM55714
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc(C(=O)O)c1
|
C21H18N2O6 394.383000 |
UPJBGXIOQMQQJO-UHFFFAOYSA-N | Q92793 | CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM55714; PubChem:CID1078352
|
Local ready
Direct docking supported
|
|
E3L003006
BDB003006
|
BDBM55755
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1
|
C19H23N7O5 429.437000 |
MPNPNWNKSXTRFL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM55755; PubChem:CID3121368
|
Local ready
Direct docking supported
|
|
E3L003007
BDB003007
|
1-(Dodecoxymethyl)-3-methylbenzimidazol-3-ium;chloride
CCCCCCCCCCCCOCn1c[n+](C)c2ccccc21
|
C21H35N2O+ 331.524000 |
LZGJHLXODMHFTH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM55756; PubChem:CID3113087
|
Local ready
Direct docking supported
|
|
E3L003008
BDB003008
|
BDBM55768
Cc1ccccc1OCc1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C
|
C28H37N2O3+ 449.615000 |
OHZBSGJYECCCNY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM55768; PubChem:CID3092516
|
Local ready
Direct docking supported
|
|
E3L003009
BDB003009
|
BDBM55880
Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc2n1
|
C19H16ClN3O 337.810000 |
MLKVGBZASWPPOU-RMKNXTFCSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM55880; PubChem:CID5773323
|
Local ready
Direct docking supported
|
|
E3L003010
BDB003010
|
2-Chloro-5-nitrobenzanilide
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
|
C13H9ClN2O3 276.679000 |
DNTSIBUQMRRYIU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM55936; PubChem:CID644213
|
Local ready
Direct docking supported
|
|
E3L003011
BDB003011
|
BDBM56070
COC(=O)C(O)(c1c(C)[nH]n(-c2ccccc2)c1=O)C(F)(F)F
|
C14H13F3N2O4 330.262000 |
BYYFFXHWQYMWGO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM56070; PubChem:CID3236823
|
Local ready
Direct docking supported
|
|
E3L003012
BDB003012
|
BDBM56202
C=C(C)CC1N(c2cccc(OC)c2)C(=O)C2C(C(=O)O)C3C=CC21O3
|
C20H21NO5 355.390000 |
NAMJXTOLLRLBNM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM56202; PubChem:CID2947636
|
Local ready
Direct docking supported
|
|
E3L003013
BDB003013
|
BDBM56204
CC1=C(C(=O)NCc2ccccn2)C2(CCC(C)CC2)OC1=O
|
C18H22N2O3 314.385000 |
PNNGFWKHTRJEGM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM56204; PubChem:CID5307423
|
Local ready
Direct docking supported
|
|
E3L003014
BDB003014
|
BDBM56252
COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1
|
C19H18N4O4S2 430.511000 |
OJMNFYFGJBOFGJ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM56252; PubChem:CID2155307
|
Local ready
Direct docking supported
|
|
E3L003015
BDB003015
|
BDBM56590
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(Cl)cc3)C2=O)cc1
|
C20H16ClN3O4S 429.885000 |
KKFFMZRDMKTVIJ-YBEGLDIGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM56590; PubChem:CID2151852
|
Local ready
Direct docking supported
|
|
E3L003016
BDB003016
|
BDBM56893
COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC
|
C14H19N5O3S 337.405000 |
URKXAWJOPFRPDW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM56893; PubChem:CID650221
|
Local ready
Direct docking supported
|
|
E3L003017
BDB003017
|
BDBM57181
CCCCC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
|
C24H23N3O4S 449.532000 |
CVWXODFBKWPROK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM57181; PubChem:CID1859964
|
Local ready
Direct docking supported
|
|
E3L003018
BDB003018
|
4-(2-Hydroxyanilino)naphthalene-1,2-dione
O=C1C=C(Nc2ccccc2O)c2ccccc2C1=O
|
C16H11NO3 265.268000 |
BNOCMOBNZBUGRY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM57185; PubChem:CID1895705
|
Local ready
Direct docking supported
|
|
E3L003019
BDB003019
|
BDBM57286
COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)cc(OC)c1OC
|
C25H28N8O3 488.552000 |
NGHIESOVAOHHBW-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM57286; PubChem:CID91897298
|
Local ready
Direct docking supported
|
|
E3L003020
BDB003020
|
4-Chloro-2-phenyl-6-[(phenylsulfanyl)methyl]pyrimidine
Clc1cc(CSc2ccccc2)nc(-c2ccccc2)n1
|
C17H13ClN2S 312.825000 |
DDUWJCZEDNCGNG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM57381; PubChem:CID1486730
|
Local ready
Direct docking supported
|