| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003721
BDB003721
|
4-(4-Ethylanilino)naphthalene-1,2-dione
CCc1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1
|
C18H15NO2 277.323000 |
WUUDVRRYARVIBD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83984; PubChem:CID3633677
|
Local ready
Direct docking supported
|
|
E3L003722
BDB003722
|
pyronin Y cation
CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3oc2c1
|
C17H19N2O+ 267.352000 |
MTENKDNBVMPHAS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83985; PubChem:CID7086
|
Local ready
Direct docking supported
|
|
E3L003723
BDB003723
|
BDBM83986
CCCN(CC(=O)Nc1ccccc1C)C(=O)CCCOc1ccc(Br)cc1
|
C22H27BrN2O3 447.373000 |
LQHXWZDVGHXZAM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83986; PubChem:CID25163135
|
Local ready
Direct docking supported
|
|
E3L003724
BDB003724
|
BDBM83987
C=CCn1c(COc2cccc(C)c2)nnc1SC(C)C(=O)NC1CC1
|
C19H24N4O2S 372.494000 |
OKECOQXZDYTJJU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83987; PubChem:CID25163138
|
Local ready
Direct docking supported
|
|
E3L003725
BDB003725
|
BDBM83988
COc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)c(OC)c1
|
C25H28N2O5S 468.575000 |
LHVQLINMTRANAG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83988; PubChem:CID25163390
|
Local ready
Direct docking supported
|
|
E3L003726
BDB003726
|
BDBM83989
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1ccsc1
|
C16H16F2N2O2S 338.379000 |
DDXUKZNBRWSWIY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83989; PubChem:CID25163637
|
Local ready
Direct docking supported
|
|
E3L003727
BDB003727
|
BDBM83990
CCCN(CC(=O)Nc1ccccc1C)C(=O)c1sc2ccccc2c1Cl
|
C21H21ClN2O2S 400.931000 |
CZMCBVWGZWGVEK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83990; PubChem:CID25163642
|
Local ready
Direct docking supported
|
|
E3L003728
BDB003728
|
BDBM83991
CCCCNc1c(-c2ccc(SC(C)CC)cc2)nc2cnccn12
|
C20H26N4S 354.523000 |
CKOYFRGAOVPNAD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83991; PubChem:CID42600937
|
Local ready
Direct docking supported
|
|
E3L003729
BDB003729
|
BDBM83992
CC(C)n1cnc2c(NCc3ccccc3)cc(N[C@H](C)CO)cc21
|
C20H26N4O 338.455000 |
UUJSPQQNHYVWIF-OAHLLOKOSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83992; PubChem:CID44143082
|
Local ready
Direct docking supported
|
|
E3L003730
BDB003730
|
BDBM83993
Oc1cc(NCCN2CCOCC2)cc2cccnc12
|
C15H19N3O2 273.336000 |
AAZBXNHACLFGTK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83993; PubChem:CID44143223
|
Local ready
Direct docking supported
|
|
E3L003731
BDB003731
|
BDBM83994
CN(C)CCCNc1cc(O)c2ncccc2c1
|
C14H19N3O 245.326000 |
SDCQTXGQDSRPAX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83994; PubChem:CID44143225
|
Local ready
Direct docking supported
|
|
E3L003732
BDB003732
|
BDBM83995
Oc1cc(NCCc2cccnc2)cc2cccnc12
|
C16H15N3O 265.316000 |
NQLZJPWTHDMVNY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83995; PubChem:CID44143227
|
Local ready
Direct docking supported
|
|
E3L003733
BDB003733
|
BDBM83996
Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(O)cc3)C(=O)c3ccccc32)cc1
|
C23H18N2O4S 418.474000 |
JPZOYWVRFLZCIC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83996; PubChem:CID2405375
|
Local ready
Direct docking supported
|
|
E3L003734
BDB003734
|
BDBM83997
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)O)c(O)c2)cc1
|
C23H19N5O6S 493.501000 |
ZLPHJFVPRQDJKY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83997; PubChem:CID1830951
|
Local ready
Direct docking supported
|
|
E3L003735
BDB003735
|
BDBM83998
N#CCCn1cc(C(CC(=O)c2ccc(Br)cc2)C(=O)O)c2ccccc21
|
C21H17BrN2O3 425.282000 |
SDCHITMWRYRRFA-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83998; PubChem:CID5308016
|
Local ready
Direct docking supported
|
|
E3L003736
BDB003736
|
(2Z,4Z)-3-methyl-5-(pyridin-3-yl)penta-2,4-dienoic acid
CC(/C=C\c1cccnc1)=C/C(=O)O
|
C11H11NO2 189.214000 |
RFGMDOCXGCLNGA-PHSHQRSZSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83999; PubChem:CID1557321
|
Local ready
Direct docking supported
|
|
E3L003737
BDB003737
|
BDBM84000
CCOc1ccc(C(=O)CC=Nc2ccc(S(=O)(=O)NC(=N)N)cc2)cc1
|
C18H20N4O4S 388.449000 |
FCDXQRHOPSVUED-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM84000; PubChem:CID40836482
|
Local ready
Direct docking supported
|
|
E3L003738
BDB003738
|
BDBM84001
O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(O)cc1)C(=O)N(c1ccc(O)cc1)C3=O
|
C26H14N2O6 450.406000 |
PVIYUMMXACSJDP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM84001; PubChem:CID1102901
|
Local ready
Direct docking supported
|
|
E3L003739
BDB003739
|
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
Cc1cc(C)n(CC(C)C(=O)O)n1
|
C9H14N2O2 182.223000 |
JQGMPUXUJVGEAE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM84002; PubChem:CID2758649
|
Local ready
Direct docking supported
|
|
E3L003740
BDB003740
|
3-(1H-indol-3-yl)-2-methylpropanoic acid
CC(Cc1c[nH]c2ccccc12)C(=O)O
|
C12H13NO2 203.241000 |
JDZNIWUNOASRIK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM84003; PubChem:CID2772042
|
Local ready
Direct docking supported
|