| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003381
BDB003381
|
BDBM71188
[C]C([C])=[C][C]C1=C(O[C]C([O])=O)C(=O)c2ccccc2C1=O
|
C17H4O5 288.214000 |
ZUOGZHTTWXUBMU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM71188
|
Local ready
Direct docking supported
|
|
E3L003382
BDB003382
|
BDBM71232
O=C(O)c1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1
|
C23H14N4O4 410.389000 |
SEXWJBVPCJURDW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71232; PubChem:CID1045968
|
Local ready
Direct docking supported
|
|
E3L003383
BDB003383
|
N-(2-hydroxy-1,3-dioxoinden-2-yl)-2-phenylacetamide
O=C(Cc1ccccc1)NC1(O)C(=O)c2ccccc2C1=O
|
C17H13NO4 295.294000 |
JQRTXRBJUUTOGL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71246; PubChem:CID2732882
|
Local ready
Direct docking supported
|
|
E3L003384
BDB003384
|
BDBM71262
COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C
|
C26H24N4O8 520.498000 |
HKZHTIOXLTVSKR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71262; PubChem:CID18834
|
Local ready
Direct docking supported
|
|
E3L003385
BDB003385
|
3-(2-Pyridylamino)isocarbostyril
O=c1[nH]c(Nc2ccccn2)cc2ccccc12
|
C14H11N3O 237.262000 |
HHZRFWPJLIXTAE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71267; PubChem:CID16727381
|
Local ready
Direct docking supported
|
|
E3L003386
BDB003386
|
6-Bromo-3-(o-anisidino)isocarbostyril
COc1ccccc1Nc1cc2cc(Br)ccc2c(=O)[nH]1
|
C16H13BrN2O2 345.196000 |
BRQGBZKOHQRHQP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71268; PubChem:CID16727377
|
Local ready
Direct docking supported
|
|
E3L003387
BDB003387
|
3-(2,5-Dimethoxyanilino)isocarbostyril
COc1ccc(OC)c(Nc2cc3ccccc3c(=O)[nH]2)c1
|
C17H16N2O3 296.326000 |
BGVBMPDMXJVVSC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71269; PubChem:CID16727388
|
Local ready
Direct docking supported
|
|
E3L003388
BDB003388
|
3-(Morpholin-4-yl)-1,2-dihydroisoquinolin-1-one
O=c1[nH]c(N2CCOCC2)cc2ccccc12
|
C13H14N2O2 230.267000 |
ZNPFINJPPZRGJT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71270; PubChem:CID3281033
|
Local ready
Direct docking supported
|
|
E3L003389
BDB003389
|
ethyl 4-[(1-oxo-2H-isoquinolin-3-yl)amino]benzoate
CCOC(=O)c1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
|
C18H16N2O3 308.337000 |
XDYOENSWOAWNLC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71272; PubChem:CID4460044
|
Local ready
Direct docking supported
|
|
E3L003390
BDB003390
|
3-(2-Chloroanilino)isocarbostyril
O=c1[nH]c(Nc2ccccc2Cl)cc2ccccc12
|
C15H11ClN2O 270.719000 |
GZQSASCGRJKNOY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71273; PubChem:CID16727385
|
Local ready
Direct docking supported
|
|
E3L003391
BDB003391
|
6-(3-Acetylphenyl)-3-anilino-isocarbostyril
CC(=O)c1cccc(-c2ccc3c(=O)[nH]c(Nc4ccccc4)cc3c2)c1
|
C23H18N2O2 354.409000 |
GUHQLBYKFGJDOL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71274; PubChem:CID16727383
|
Local ready
Direct docking supported
|
|
E3L003392
BDB003392
|
BDBM71356
CC(=O)N(C1=C(N)C(=O)c2ccccc2C1=O)c1ccccc1
|
C18H14N2O3 306.321000 |
LCEWPYXCCGPGDU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71356; PubChem:CID5182455
|
Local ready
Direct docking supported
|
|
E3L003393
BDB003393
|
4-(Pyrimidin-2-yloxy)aniline
Nc1ccc(Oc2ncccn2)cc1
|
C10H9N3O 187.202000 |
OYPOTUTZLSXURN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71357; PubChem:CID1484610
|
Local ready
Direct docking supported
|
|
E3L003394
BDB003394
|
2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
COc1ccc(CN2C(=O)Cc3ccccc3C2=O)cc1
|
C17H15NO3 281.311000 |
GTFIXYRYXVQGML-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71372; PubChem:CID1475552
|
Local ready
Direct docking supported
|
|
E3L003395
BDB003395
|
2-Chloro-3-(3-pyridylmethylamino)-1,4-naphthoquinone
Oc1c(Cl)c(N=Cc2cccnc2)c(O)c2ccccc12
|
C16H11ClN2O2 298.729000 |
HIBBYVXUBKIHEI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71373; PubChem:CID91897974
|
Local ready
Direct docking supported
|
|
E3L003396
BDB003396
|
BDBM71380
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1ccc(O)cc1O
|
C18H16N4O4 352.350000 |
BAJKPBGSHIXQNZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71380; PubChem:CID3794061
|
Local ready
Direct docking supported
|
|
E3L003397
BDB003397
|
BDBM71412
COc1ccc(C(C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1
|
C19H19N3O4 353.378000 |
HIJKYNRPWPXDBH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71412; PubChem:CID4114494
|
Local ready
Direct docking supported
|
|
E3L003398
BDB003398
|
3-(N-ethylanilino)-2H-isoquinolin-1-one
CCN(c1ccccc1)c1cc2ccccc2c(=O)[nH]1
|
C17H16N2O 264.328000 |
JQZQWLUUKUSJKH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71415; PubChem:CID4461971
|
Local ready
Direct docking supported
|
|
E3L003399
BDB003399
|
BDBM71425
COc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
|
C23H18N2O6S2 482.539000 |
YWYJUYMGMGBZPD-DARPEHSRSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71425; PubChem:CID17749659
|
Local ready
Direct docking supported
|
|
E3L003400
BDB003400
|
BDBM71431
CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1
|
C26H24N2O5S2 508.621000 |
PHBQIHQMSMVNCI-SLEBQGDGSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM71431; PubChem:CID9649400
|
Local ready
Direct docking supported
|