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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM41087'   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM41087
PNG
(MLS000555365 | N-[4-[[2-(4-acetamidoanilino)-5-nit...)
Show SMILES CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N7O4/c1-12(28)22-14-3-7-16(8-4-14)24-19-18(27(30)31)11-21-20(26-19)25-17-9-5-15(6-10-17)23-13(2)29/h3-11H,1-2H3,(H,22,28)(H,23,29)(H2,21,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2GX48ZN
More data for this
Ligand-Target Pair