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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50361213'   
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))
BDBM50361213
PNG
(CHEMBL1934342)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H28N6O3S/c1-36(34,35)23-9-4-20(5-10-23)24-11-8-22-16-28-26(30-32(22)24)29-21-6-2-18(3-7-21)19-12-14-31(15-13-19)17-25(27)33/h2-11,16,19H,12-15,17H2,1H3,(H2,27,33)(H,29,30)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 114n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK expressed in baculovirus expression system after 30 mins by time resolved fluorescence assay


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50361213
PNG
(CHEMBL1934342)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cnc(Nc3ccc(cc3)C3CCN(CC(N)=O)CC3)nn12
Show InChI InChI=1S/C26H28N6O3S/c1-36(34,35)23-9-4-20(5-10-23)24-11-8-22-16-28-26(30-32(22)24)29-21-6-2-18(3-7-21)19-12-14-31(15-13-19)17-25(27)33/h2-11,16,19H,12-15,17H2,1H3,(H2,27,33)(H,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FAK in human 293GT cells after 1 hr by luminescence-based spectrophotometry


Bioorg Med Chem Lett 22: 133-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.049
BindingDB Entry DOI: 10.7270/Q2C829R4
More data for this
Ligand-Target Pair