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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 = 'BDBM64030'   
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))
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.38E+3n/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))
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
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