Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50425673'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50425673 (CHEMBL2315580) Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	177	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated His-TEV-hsFAK(31-686)(K454R) substrate after 2 hrs by scintillation counting analysis				J Med Chem 56: 1160-70 (2013) Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50425673 (CHEMBL2315580) Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Inhibition of FAK in human HT-29 cells assessed as phosphorylation at tyrosine 397 after 45 mins				J Med Chem 56: 1160-70 (2013) Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP
					More data for this Ligand-Target Pair
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50425673 (CHEMBL2315580) Show SMILES CN(c1ncccc1CNc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C#N)S(C)(=O)=O Show InChI InChI=1S/C22H19FN6O2S/c1-29(32(2,30)31)22-15(4-3-9-25-22)12-26-20-16(11-24)13-27-21-18(20)10-19(28-21)14-5-7-17(23)8-6-14/h3-10,13H,12H2,1-2H3,(H2,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a
Merck Serono Research Curated by ChEMBL					Assay Description Binding affinity to FAK (unknown origin) by surface plasmon resonance analysis				J Med Chem 56: 1160-70 (2013) Article DOI: 10.1021/jm3016014 BindingDB Entry DOI: 10.7270/Q2GT5PGP
					More data for this Ligand-Target Pair