Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM50440370'   

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))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK (unknown origin) using biotinylated-His-TEVhsFAK(31-686)(K454R) as substrate after 2 hrs by scintillation counting analysis				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of FAK in human HT-29 cells assessed as Tyr397 phosphorylation after 45 mins				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM50440370 (CHEMBL2425144) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(cc1)-n1cnc2c(N)ncnc12)C(C)(C)C Show InChI InChI=1S/C26H27N9O/c1-16-5-9-19(10-6-16)35-21(13-20(33-35)26(2,3)4)32-25(36)31-17-7-11-18(12-8-17)34-15-30-22-23(27)28-14-29-24(22)34/h5-15H,1-4H3,(H2,27,28,29)(H2,31,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Binding affinity to FAK kinase (unknown origin) by surface plasmon resonance assay				Bioorg Med Chem Lett 23: 5401-9 (2013) Article DOI: 10.1016/j.bmcl.2013.07.050 BindingDB Entry DOI: 10.7270/Q2891782
					More data for this Ligand-Target Pair				3D Structure (crystal)