| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003661
BDB003661
|
BDBM83923
Cc1oc2c(c1C(=O)O)C(=O)c1ccccc1C2=O
|
C14H8O5 256.213000 |
DGUNRTJCCAANGI-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83923; PubChem:CID693329
|
Local ready
Direct docking supported
|
|
E3L003662
BDB003662
|
1-(4-Ethylphenyl)-3-isoquinolin-5-ylthiourea
CCc1ccc(NC(=S)Nc2cccc3cnccc23)cc1
|
C18H17N3S 307.422000 |
CLMGPNXFMNDRDP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83924; PubChem:CID2371600
|
Local ready
Direct docking supported
|
|
E3L003663
BDB003663
|
BDBM83925
O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCCC2)o1
|
C15H14N2O3S 302.355000 |
LNTMERMVWRMWOQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83925; PubChem:CID1540853
|
Local ready
Direct docking supported
|
|
E3L003664
BDB003664
|
BDBM83926
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1
|
C17H16FN3O4S2 409.464000 |
XORSJDAGESXRSD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83926; PubChem:CID2560785
|
Local ready
Direct docking supported
|
|
E3L003665
BDB003665
|
BDBM83927
Cc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1S(=O)(=O)NCC1CCCO1
|
C25H23N5O4S 489.557000 |
VCPJXXNWVBERGD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83927; PubChem:CID666440
|
Local ready
Direct docking supported
|
|
E3L003666
BDB003666
|
BDBM83928
O=C(O)c1cccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)c1
|
C21H18N2O5 378.384000 |
RKRRTHBMNDJIQQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83928; PubChem:CID1385360
|
Local ready
Direct docking supported
|
|
E3L003667
BDB003667
|
BDBM83929
COc1ccc2[nH]c(=O)c(CNc3ccccc3OC)cc2c1
|
C18H18N2O3 310.353000 |
AOPRRISLVAEQGE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83929; PubChem:CID939236
|
Local ready
Direct docking supported
|
|
E3L003668
BDB003668
|
1-[3-(2,4-Dipentylphenoxy)propyl]pyridinium
CCCCCc1ccc(OCCC[n+]2ccccc2)c(CCCCC)c1
|
C24H36NO+ 354.558000 |
IMYGWRQFFZCFAQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83930; PubChem:CID5147066
|
Local ready
Direct docking supported
|
|
E3L003669
BDB003669
|
BDBM83931
CCCCC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1
|
C24H22ClN3O4S 483.977000 |
MJNGKUGGWLKZFC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83931; PubChem:CID1609826
|
Local ready
Direct docking supported
|
|
E3L003670
BDB003670
|
5-Bromo-1-methyl-8-quinolin-1-iumolate;hydrate
C[n+]1cccc2c(Br)ccc([O-])c21
|
C10H8BrNO 238.084000 |
GAACBYFZEAMRHM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83932; PubChem:CID915564
|
Local ready
Direct docking supported
|
|
E3L003671
BDB003671
|
BDBM83933
c1cc2c3c(cccc3c1)NC1(CCC3(CC1)Nc1cccc4cccc(c14)N3)N2
|
C26H24N4 392.506000 |
NCQQPRUQJZARLC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83933; PubChem:CID263463
|
Local ready
Direct docking supported
|
|
E3L003672
BDB003672
|
BDBM83934
COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(CC3CC3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O
|
C26H26BrNO7 544.398000 |
VVAKFTBHHOBQGF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83934; PubChem:CID16745603
|
Local ready
Direct docking supported
|
|
E3L003673
BDB003673
|
BDBM83935
C=CCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1
|
C21H23NO6 385.416000 |
ZENLPJZFOKRYOQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83935; PubChem:CID16745626
|
Local ready
Direct docking supported
|
|
E3L003674
BDB003674
|
BDBM83936
COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C=C2C=C1C1CC1
|
C21H25NO7 403.431000 |
FFURLHLPJRTSAW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83936; PubChem:CID16745627
|
Local ready
Direct docking supported
|
|
E3L003675
BDB003675
|
BDBM83937
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C1=O
|
C24H30N2O7 458.511000 |
OLKDZJFMGYSJPB-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83937; PubChem:CID16745630
|
Local ready
Direct docking supported
|
|
E3L003676
BDB003676
|
BDBM83938
COC(=O)CCC(=O)OC1(C)C(=O)C2=CN(C3CCCC3)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O
|
C27H28BrNO7 558.425000 |
URVLSDOYMWBFID-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83938; PubChem:CID16745757
|
Local ready
Direct docking supported
|
|
E3L003677
BDB003677
|
3-Phenyl-5-(4-chlorobenzyl)-1,2,4-triazine-6(1H)-one
O=c1[nH]nc(-c2ccccc2)nc1Cc1ccc(Cl)cc1
|
C16H12ClN3O 297.745000 |
XRFZVQYALJCILC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83939; PubChem:CID2825639
|
Local ready
Direct docking supported
|
|
E3L003678
BDB003678
|
BDBM83940
COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1
|
C25H26BrNO8 548.386000 |
SCBSGIJTVYKBMG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83940; PubChem:CID16759695
|
Local ready
Direct docking supported
|
|
E3L003679
BDB003679
|
Reumycin
Cn1c(=O)[nH]c2nncnc2c1=O
|
C6H5N5O2 179.139000 |
ZLLAXLPOOMLVRF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83941; PubChem:CID5351216
|
Local ready
Direct docking supported
|
|
E3L003680
BDB003680
|
1,4-Dihydroxy-2,3-naphthoquinone
O=C1C(=O)c2ccccc2C(O)C1=O
|
C10H6O4 190.154000 |
IUQUPUPDITWSAP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM83942; PubChem:CID91898867
|
Local ready
Direct docking supported
|