Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Focal adhesion kinase 1' and Ligand = 'BDBM40963'   

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))	BDBM40963 (9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-...) Show SMILES CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)n(n1)-c1ccccc1 Show InChI InChI=1S/C27H27N5O4/c1-27(2,3)21-15-23(32(30-21)18-8-5-4-6-9-18)29-24(33)16-36-26(35)17-11-12-19-20(14-17)28-22-10-7-13-31(22)25(19)34/h4-6,8-9,11-12,14-15H,7,10,13,16H2,1-3H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	977	n/a	n/a	n/a	n/a	n/a	n/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
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