BDBM10180 US8846689, 156

SMILES: COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3C(C)C(C)C(=O)c23)n1

InChI Key: InChIKey=URXFMIYXZSCJFM-WOYVVOKSSA-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 = 10180   

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))	BDBM10180 (US8846689, 156) Show SMILES COc1cc(C(=O)N[C@H]2CCN(C)C[C@H]2F)c(Cl)cc1Nc1ncc(Cl)c(Oc2cccc3C(C)C(C)C(=O)c23)n1 |r| Show InChI InChI=1S/C29H30Cl2FN5O4/c1-14-15(2)26(38)25-16(14)6-5-7-23(25)41-28-19(31)12-33-29(36-28)35-22-11-18(30)17(10-24(22)40-4)27(39)34-21-8-9-37(3)13-20(21)32/h5-7,10-12,14-15,20-21H,8-9,13H2,1-4H3,(H,34,39)(H,33,35,36)/t14?,15?,20-,21+/m1/s1	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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