BDBM134112 US8846689, 114

SMILES: COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1

InChI Key: InChIKey=YFHUOGZZENNVFQ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 134112   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM134112 (US8846689, 114) Show SMILES COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc(C#N)c(Oc2cccc3CCC(=O)c23)n1 Show InChI InChI=1S/C28H27ClN6O4/c1-35-10-8-18(9-11-35)32-26(37)19-12-24(38-2)21(13-20(19)29)33-28-31-15-17(14-30)27(34-28)39-23-5-3-4-16-6-7-22(36)25(16)23/h3-5,12-13,15,18H,6-11H2,1-2H3,(H,32,37)(H,31,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This test uses active PTK2 enzyme (Invitrogen Code PV3832) and poly-Glu-Tyr (4:1, Sigma P-0275) as the kinase substrate. The kinase activity is detec...				US Patent US8846689 (2014) BindingDB Entry DOI: 10.7270/Q2BC3X7Z
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