| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003361
BDB003361
|
2-Methyl-3-(2-oxo-2-phenylethyl)naphthoquinone
CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
|
C19H14O3 290.318000 |
QKJWXHMJMZXPLX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70644; PubChem:CID1473358
|
Local ready
Direct docking supported
|
|
E3L003362
BDB003362
|
BDBM70693
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)C1COc2ccccc2O1
|
C20H18N4O4 378.388000 |
LKOXGENSQWFWJU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70693; PubChem:CID2837253
|
Local ready
Direct docking supported
|
|
E3L003363
BDB003363
|
BDBM70782
Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
|
C21H16N2O3S2 408.504000 |
XYTTUUGZACDZAR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM70782
|
Local ready
Direct docking supported
|
|
E3L003364
BDB003364
|
(+)-Glaucine
COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
|
C21H25NO4 355.434000 |
RUZIUYOSRDWYQF-HNNXBMFYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70843; PubChem:CID16754
|
Local ready
Direct docking supported
|
|
E3L003365
BDB003365
|
BDBM70844
O=C(NC1=C(Nc2ccc(F)cc2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
|
C23H14ClFN2O3 420.827000 |
FCYBOLGARAQDRF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70844; PubChem:CID4608646
|
Local ready
Direct docking supported
|
|
E3L003366
BDB003366
|
BDBM70862
COc1ccc(-n2c3nc4ccccc4nc3c3c(=N)oc(C)nc32)cc1
|
C20H15N5O2 357.373000 |
KTCLNXMGRDGQLU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70862; PubChem:CID2314975
|
Local ready
Direct docking supported
|
|
E3L003367
BDB003367
|
3-(2-Hydroxyanilino)-2-methylpropanoic acid
CC(CNc1ccccc1O)C(=O)O
|
C10H13NO3 195.218000 |
VXPKXHGFYVGAPT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70892; PubChem:CID3578348
|
Local ready
Direct docking supported
|
|
E3L003368
BDB003368
|
BDBM70900
Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cccc(Cl)c2)o1)c1c(C)[nH][nH]c1=O
|
C19H17ClN4O3 384.823000 |
CWEPOMLISBITJJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70900; PubChem:CID2929992
|
Local ready
Direct docking supported
|
|
E3L003369
BDB003369
|
BDBM70925
CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
|
C16H12O5 284.267000 |
HMFXUSUJCQTNPX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70925; PubChem:CID879093
|
Local ready
Direct docking supported
|
|
E3L003370
BDB003370
|
BDBM70928
COC(=O)c1ccc(-c2ccc(C(c3c(C)[nH][nH]c3=O)c3c(C)[nH][nH]c3=O)o2)cc1
|
C21H20N4O5 408.414000 |
PBHGPBFYTOSLSJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70928; PubChem:CID3152413
|
Local ready
Direct docking supported
|
|
E3L003371
BDB003371
|
N,N-Bis(2-hydroxyethyl)-p-phenylenediamine
Nc1ccc(N(CCO)CCO)cc1
|
C10H16N2O2 196.250000 |
ISCYHXYLVTWDJT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70984; PubChem:CID82057
|
Local ready
Direct docking supported
|
|
E3L003372
BDB003372
|
4-(Butylamino)naphthalene-1,2-dione
CCCCNC1=CC(=O)C(=O)c2ccccc21
|
C14H15NO2 229.279000 |
PXWKRUWSKHYBTG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM70999; PubChem:CID3095210
|
Local ready
Direct docking supported
|
|
E3L003373
BDB003373
|
BDBM71037
Cc1oc2c(c1C(=O)N1CCOCC1)C(=O)c1ccccc1C2=O
|
C18H15NO5 325.320000 |
OHDSQTULPMWOPD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71037; PubChem:CID1382504
|
Local ready
Direct docking supported
|
|
E3L003374
BDB003374
|
BDBM71070
C=Nc1c(N(C(=O)CC)C(C)C)c(O)c2ccccc2c1O
|
C17H20N2O3 300.358000 |
CEZAHRJFYLBTKX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71070; PubChem:CID91897965
|
Local ready
Direct docking supported
|
|
E3L003375
BDB003375
|
2-Chloro-3-(2-piperidinoethylamino)-1,4-naphthoquinone
Oc1c(Cl)c(N=CCN2CCCCC2)c(O)c2ccccc12
|
C17H19ClN2O2 318.804000 |
NLQDUHMBRDDLQS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71078; PubChem:CID91897966
|
Local ready
Direct docking supported
|
|
E3L003376
BDB003376
|
BDBM71093
O=C(NN=C1CC(=NNC(=O)c2ccncc2)c2ccccc21)c1ccncc1
|
C21H16N6O2 384.399000 |
CNHYVFLAIWMBDE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71093; PubChem:CID6818779
|
Local ready
Direct docking supported
|
|
E3L003377
BDB003377
|
BDBM71143
CC(=O)Nc1ccc(S(=O)(=O)[N-]C2=C(n3cc[n+](-c4ccccn4)c3)C(=O)c3ccccc3C2=O)cc1
|
C26H19N5O5S 513.535000 |
GXVXYQHQZDIAQQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71143; PubChem:CID4154712
|
Local ready
Direct docking supported
|
|
E3L003378
BDB003378
|
BDBM71156
CC(C)[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
|
C22H19N3O4S 421.478000 |
OBMFBWAHZTYUSZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71156; PubChem:CID1391693
|
Local ready
Direct docking supported
|
|
E3L003379
BDB003379
|
BDBM71166
CC(=O)N(C1=C(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(C(=O)O)cc1
|
C23H20N2O6 420.421000 |
LPMUIPFHMOGKEV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71166; PubChem:CID2833927
|
Local ready
Direct docking supported
|
|
E3L003380
BDB003380
|
BDBM71178
O=C(O)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1
|
C23H14N4O4 410.389000 |
MXEWFUONLMVUJE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71178; PubChem:CID1397082
|
Local ready
Direct docking supported
|