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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 35' and Ligand = 'BDBM76043'   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76043
PNG
(1-cyclopentyl-2-imino-5-keto-N-methyl-dipyrido[1,2...)
Show SMILES CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C18H19N5O2/c1-20-17(24)12-10-13-16(23(15(12)19)11-6-2-3-7-11)21-14-8-4-5-9-22(14)18(13)25/h4-5,8-11,19H,2-3,6-7H2,1H3,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>3.20E+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 (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PV6HTP
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM76043
PNG
(1-cyclopentyl-2-imino-5-keto-N-methyl-dipyrido[1,2...)
Show SMILES CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N
Show InChI InChI=1S/C18H19N5O2/c1-20-17(24)12-10-13-16(23(15(12)19)11-6-2-3-7-11)21-14-8-4-5-9-22(14)18(13)25/h4-5,8-11,19H,2-3,6-7H2,1H3,(H,20,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.20E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Libr...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FB51DS
More data for this
Ligand-Target Pair