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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptotic peptidase activating factor 1' and Ligand = 'BDBM83912'   
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 peptidase activating factor 1


(Homo sapiens)
BDBM83912
PNG
(4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(23-24-22(28)15-9-11-16(12-10-15)26(29)30)13-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,23,27)(H,24,28)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.80E+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 peptidase activating factor 1


(Homo sapiens)
BDBM83912
PNG
(4-Nitro-benzoic acid N'-(3-1,2,3,4-tetrahydro-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NNC(=O)CCn1c2CCCCc2c2ccccc12
Show InChI InChI=1S/C22H22N4O4/c27-21(23-24-22(28)15-9-11-16(12-10-15)26(29)30)13-14-25-19-7-3-1-5-17(19)18-6-2-4-8-20(18)25/h1,3,5,7,9-12H,2,4,6,8,13-14H2,(H,23,27)(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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