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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 = 'BDBM83878'   
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))
BDBM83878
PNG
(MLS000052092 | N-(2-furanylmethyl)-2-methyl-5-(3-m...)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccco1
Show InChI InChI=1S/C22H19N5O3S/c1-14-9-10-16(12-20(14)31(28,29)23-13-17-6-5-11-30-17)21-18-7-3-4-8-19(18)22-25-24-15(2)27(22)26-21/h3-12,23H,13H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.52E+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))
BDBM83878
PNG
(MLS000052092 | N-(2-furanylmethyl)-2-methyl-5-(3-m...)
Show SMILES Cc1nnc2c3ccccc3c(nn12)-c1ccc(C)c(c1)S(=O)(=O)NCc1ccco1
Show InChI InChI=1S/C22H19N5O3S/c1-14-9-10-16(12-20(14)31(28,29)23-13-17-6-5-11-30-17)21-18-7-3-4-8-19(18)22-25-24-15(2)27(22)26-21/h3-12,23H,13H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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