| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002941
BDB002941
|
BDBM50696
O=C(O)c1cccc(-c2ccc(C=c3sc4nc5ccccc5n4c3=O)o2)c1
|
C21H12N2O4S 388.404000 |
IHXPBZYKWITPFM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50696; PubChem:CID1492413
|
Local ready
Direct docking supported
|
|
E3L002942
BDB002942
|
BDBM50713
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)C(=C)C)C3)c1
|
C21H24N4O4 396.447000 |
ZTBAYPBTARIWTP-PBVYKCSPSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50713; PubChem:CID16745469
|
Local ready
Direct docking supported
|
|
E3L002943
BDB002943
|
BDBM50714
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)c2ccc(Cl)cc2)C3)c1
|
C24H23ClN4O4 466.925000 |
FXSYTBRKDHBDOL-QHELBMECSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50714; PubChem:CID16745473
|
Local ready
Direct docking supported
|
|
E3L002944
BDB002944
|
BDBM50715
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)/C=C/C)C3)c1
|
C21H24N4O4 396.447000 |
CQMBETNXXRVNKZ-HFIKFMIISA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50715; PubChem:CID16745482
|
Local ready
Direct docking supported
|
|
E3L002945
BDB002945
|
BDBM50716
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1
|
C31H30N4O4 522.605000 |
QRKKRZLARXFWKP-SYQKMTEESA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50716; PubChem:CID16745486
|
Local ready
Direct docking supported
|
|
E3L002946
BDB002946
|
BDBM50778
CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccsc1
|
C19H19N3O4S 385.445000 |
WJXIZLBMJFLASA-YIOZNXECSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50778; PubChem:CID658017
|
Local ready
Direct docking supported
|
|
E3L002947
BDB002947
|
BDBM50822
CC(=O)N1CCCc2cc(S(=O)(=O)N(CC(C)C)CC(C)C)ccc21
|
C19H30N2O3S 366.527000 |
MTQSDDFNCZJZNN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50822; PubChem:CID3239330
|
Local ready
Direct docking supported
|
|
E3L002948
BDB002948
|
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
|
C15H16FNO3S 309.362000 |
RLQQYSQINPNPQI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50837; PubChem:CID841713
|
Local ready
Direct docking supported
|
|
E3L002949
BDB002949
|
BDBM50974
O=C(NN=CC1C=C(Cl)C=C([N+](=O)[O-])C1=O)NC12CC3CC(CC(C3)C1)C2
|
C18H21ClN4O4 392.843000 |
DAKAUPBBGUNWPC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM50974
|
Local ready
Direct docking supported
|
|
E3L002950
BDB002950
|
4-[4-(4-Methyl-2-quinolinyl)phenyl]morpholine
Cc1cc(-c2ccc(N3CCOCC3)cc2)nc2ccccc12
|
C20H20N2O 304.393000 |
XGSZPPXEIDZEMS-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM51057; PubChem:CID4883936
|
Local ready
Direct docking supported
|
|
E3L002951
BDB002951
|
BDBM51236
COC(CNC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)OC
|
C19H16N2O5 352.346000 |
HGMKBBRZPVVVKX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51236; PubChem:CID1916369
|
Local ready
Direct docking supported
|
|
E3L002952
BDB002952
|
2,3-Diaminophenazine
Nc1cc2nc3ccccc3nc2cc1N
|
C12H10N4 210.240000 |
VZPGINJWPPHRLS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51287; PubChem:CID410099
|
Local ready
Direct docking supported
|
|
E3L002953
BDB002953
|
Tanshinone I
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
|
C18H12O3 276.291000 |
AIGAZQPHXLWMOJ-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM51317; PubChem:CID114917
|
Local ready
Direct docking supported
|
|
E3L002954
BDB002954
|
BDBM51607
CCCCCCC1=Cc2c/c(=C3/NN=C(c4ccccc4OC)O3)c(=O)oc2=CC1=O
|
C24H24N2O5 420.465000 |
AZIJDWFWEOFJIH-PTGBLXJZSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM51607
|
Local ready
Direct docking supported
|
|
E3L002955
BDB002955
|
BDBM51661
N#CC1(C#N)COC23CCCCC2C1(C#N)C(=N)O3
|
C13H12N4O2 256.265000 |
LRYUMHXJZJBSIH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM51661; PubChem:CID3701443
|
Local ready
Direct docking supported
|
|
E3L002956
BDB002956
|
BDBM51771
Cn1nc(-c2ccccn2)nc2c(=O)n(C)c(=O)nc1-2
|
C12H10N6O2 270.252000 |
HDXJYJIPXWVRSM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51771; PubChem:CID906542
|
Local ready
Direct docking supported
|
|
E3L002957
BDB002957
|
BDBM51809
[C][C]N([C][C])[C][C]Oc1ccc2c(c1)C(=N[N]C(=O)c1ccccn1)c1cc(O[C][C]N([C][C])[C][C])ccc1-2
|
C31H10N5O3 500.453000 |
WLDLDWZZBRMIPE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM51809
|
Local ready
Direct docking supported
|
|
E3L002958
BDB002958
|
BDBM51840
CCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CC)Sc2cc(C)c(C)cc21
|
C24H27N2S+ 375.561000 |
LHQFSVNOINPHTO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51840; PubChem:CID3146449
|
Local ready
Direct docking supported
|
|
E3L002959
BDB002959
|
BDBM51841
CCCCCCOc1ccc([C+](C)[N-]NC2=NCCN2)cc1[N+](=O)[O-]
|
C17H25N5O3 347.419000 |
AKJVZFLOSQWOMV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM51841
|
Local ready
Direct docking supported
|
|
E3L002960
BDB002960
|
BDBM51851
COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@H](c3ccccc3)N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)cc1
|
C41H48Cl2N4O4 731.765000 |
KDTMQIOUBMOSIC-FXBDCZLJSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51851; PubChem:CID16195670
|
Local ready
Direct docking supported
|