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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 = 'BDBM70398'   
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))
BDBM70398
PNG
(6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26|
Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)
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PC cid
PC sid
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PCBioAssay
n/an/a 2.39E+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))
BDBM70398
PNG
(6-amino-4-[3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(CSC2=NCCS2)c1 |t:26|
Show InChI InChI=1S/C21H23N5O2S2/c1-3-4-15-18-17(14(10-22)19(23)28-20(18)26-25-15)12-5-6-16(27-2)13(9-12)11-30-21-24-7-8-29-21/h5-6,9,14,17,23H,3-4,7-8,11H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a>1.00E+5n/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/Q2F18X8S
More data for this
Ligand-Target Pair