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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptotic protease-activating factor 1' and Ligand = 'BDBM83940'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83940
PNG
(4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl...)
Show SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5|
Show InChI InChI=1S/C25H26BrNO8/c1-25(35-21(29)10-9-20(28)34-4)23(30)18-14-27(11-12-32-2)19(13-17(18)22(26)24(25)31)15-5-7-16(33-3)8-6-15/h5-8,13-14H,9-12H2,1-4H3
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic protease-activating factor 1


(Homo sapiens (Human))
BDBM83940
PNG
(4-O-[5-bromo-2-(2-methoxyethyl)-3-(4-methoxyphenyl...)
Show SMILES COCCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1 |c:23,26,t:5|
Show InChI InChI=1S/C25H26BrNO8/c1-25(35-21(29)10-9-20(28)34-4)23(30)18-14-27(11-12-32-2)19(13-17(18)22(26)24(25)31)15-5-7-16(33-3)8-6-15/h5-8,13-14H,9-12H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.00E+5n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair