| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003681
BDB003681
|
BDBM83943
O=c1cc(N=NCc2ccccc2)[nH]c(=O)[nH]1
|
C11H10N4O2 230.227000 |
FCBHOUBZVOLWEQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83943; PubChem:CID91898868
|
Local ready
Direct docking supported
|
|
E3L003682
BDB003682
|
BDBM83944
COc1cc2cc(NC(C)=O)cc(NCc3ccccc3)c2cc1OC
|
C21H22N2O3 350.418000 |
BLZNVYNNKSHQAL-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83944; PubChem:CID984297
|
Local ready
Direct docking supported
|
|
E3L003683
BDB003683
|
BDBM83945
CN(C)c1cc(N=NCc2ccccc2C(F)(F)F)nc(N(C)C)n1
|
C16H19F3N6 352.364000 |
DFRJGQAZIFFOFV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83945; PubChem:CID91898869
|
Local ready
Direct docking supported
|
|
E3L003684
BDB003684
|
4-Bromo-2-[(quinolin-8-ylamino)methyl]phenol
Oc1ccc(Br)cc1CNc1cccc2cccnc12
|
C16H13BrN2O 329.197000 |
HRODNMNKFBNWQE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83946; PubChem:CID889297
|
Local ready
Direct docking supported
|
|
E3L003685
BDB003685
|
BDBM83947
COc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl
|
C13H11ClN4O 274.711000 |
OXCYKAHSAZUSBK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83947; PubChem:CID741095
|
Local ready
Direct docking supported
|
|
E3L003686
BDB003686
|
BDBM83948
Cc1cccc(C)c1NC(=O)Cn1cc(C=O)c2ccccc21
|
C19H18N2O2 306.365000 |
VEGCSPAUOSUYPY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83948; PubChem:CID965799
|
Local ready
Direct docking supported
|
|
E3L003687
BDB003687
|
BDBM83949
O=C(CCCN1CCc2[nH]c3ccc(F)cc3c2C1)c1ccc(F)cc1
|
C21H20F2N2O 354.400000 |
VBWVJJZYUPVDPN-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83949; PubChem:CID35836
|
Local ready
Direct docking supported
|
|
E3L003688
BDB003688
|
2-Chloro-3-(2-morpholinoethylamino)-1,4-naphthoquinone
Oc1c(Cl)c(N=CCN2CCOCC2)c(O)c2ccccc12
|
C16H17ClN2O3 320.776000 |
OMSLPKDYBIFPJY-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83950; PubChem:CID91898870
|
Local ready
Direct docking supported
|
|
E3L003689
BDB003689
|
9-Acridinecarbonitrile, 2-acetyl-, 10-oxide
CC(=O)c1ccc2c(c1)c(C#N)c1ccccc1[n+]2[O-]
|
C16H10N2O2 262.268000 |
KXCIDRGPJGHSRV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83951; PubChem:CID4538408
|
Local ready
Direct docking supported
|
|
E3L003690
BDB003690
|
BDBM83952
C=C(C)Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
|
C17H15N3O 277.327000 |
GHIMGENTIKHEIZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83952; PubChem:CID752162
|
Local ready
Direct docking supported
|
|
E3L003691
BDB003691
|
BDBM83953
Cc1ccc(-n2nc3ccc(N)cc3n2)cc1Cl
|
C13H11ClN4 258.712000 |
NUFGUKUYOSAPGT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83953; PubChem:CID960733
|
Local ready
Direct docking supported
|
|
E3L003692
BDB003692
|
BDBM83955
CCOC(=O)c1c(CN(C)C)n(C)c2c(O)c(N=NC(N)=O)c3ccc(Br)cc3c12
|
C20H22BrN5O4 476.331000 |
MQHUFUXBAXMQAM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83955; PubChem:CID135829865
|
Local ready
Direct docking supported
|
|
E3L003693
BDB003693
|
BDBM83956
O=C(O)CCNc1cc(N2CCN(C(=O)c3ccco3)CC2)c2noc3c2c1C(=O)c1ccccc1-3
|
C26H22N4O6 486.484000 |
FDQJDAAZHWTNNG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83956; PubChem:CID24789635
|
Local ready
Direct docking supported
|
|
E3L003694
BDB003694
|
BDBM83957
COc1ccc(-n2nc(C(=O)NCC(=O)NC3CCCC(C)C3C)c3ccccc3c2=O)c(OC)c1
|
C27H32N4O5 492.576000 |
ZYSCSSCVRVBIIR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83957; PubChem:CID6619046
|
Local ready
Direct docking supported
|
|
E3L003695
BDB003695
|
BDBM83958
Cc1cc(C)c(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c(C)c1
|
C25H22N2O5S2 494.594000 |
JXDXPSCPSIMZHZ-XTCLZLMSSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83958; PubChem:CID22525635
|
Local ready
Direct docking supported
|
|
E3L003696
BDB003696
|
BDBM83959
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c5c3CC(=O)N5CC(C)S4)CC2)cc1
|
C23H25N3O4S2 471.604000 |
FKBMRFYPNSMOJE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83959; PubChem:CID20903445
|
Local ready
Direct docking supported
|
|
E3L003697
BDB003697
|
BDBM83960
CC1CCN(S(=O)(=O)c2ccc3c4c2CC(=O)N4CC(C)S3)CC1
|
C17H22N2O3S2 366.508000 |
LEIPWHUFAAIVQM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83960; PubChem:CID20903435
|
Local ready
Direct docking supported
|
|
E3L003698
BDB003698
|
BDBM83961
CCN1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1
|
C22H23N3O4S 425.510000 |
WZIHMBBGNGTRFX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83961; PubChem:CID3697347
|
Local ready
Direct docking supported
|
|
E3L003699
BDB003699
|
BDBM83962
CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(C)CC3)C(=O)c3ccccc3C2=O)cc1
|
C23H24N4O5S 468.535000 |
QGZJJVMTJMWGFO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83962; PubChem:CID3249350
|
Local ready
Direct docking supported
|
|
E3L003700
BDB003700
|
BDBM83963
CN1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1
|
C21H21N3O4S 411.483000 |
RMPULVLSYIHHQO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83963; PubChem:CID3763775
|
Local ready
Direct docking supported
|