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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 = 'BDBM83875'   
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))
BDBM83875
PNG
(2-[(1-Cyclohexyl-1H-tetrazol-5-yl)-pyridin-2-yl-me...)
Show SMILES C1CCC(CC1)n1nnnc1C(N1CCc2ccccc2C1)c1ccccn1
Show InChI InChI=1S/C22H26N6/c1-2-10-19(11-3-1)28-22(24-25-26-28)21(20-12-6-7-14-23-20)27-15-13-17-8-4-5-9-18(17)16-27/h4-9,12,14,19,21H,1-3,10-11,13,15-16H2
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MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.44E+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))
BDBM83875
PNG
(2-[(1-Cyclohexyl-1H-tetrazol-5-yl)-pyridin-2-yl-me...)
Show SMILES C1CCC(CC1)n1nnnc1C(N1CCc2ccccc2C1)c1ccccn1
Show InChI InChI=1S/C22H26N6/c1-2-10-19(11-3-1)28-22(24-25-26-28)21(20-12-6-7-14-23-20)27-15-13-17-8-4-5-9-18(17)16-27/h4-9,12,14,19,21H,1-3,10-11,13,15-16H2
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