BDBM174404 US9688676, 6 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxyphenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(2,2,2-trifluoroethyl)piperazin-1-yl)pent-2-enenitrile

SMILES: CC(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC(F)(F)F)CC1

InChI Key: InChIKey=NINFNTKHDQMOST-LFHRXCRSSA-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 = 174404   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM174404 (US9688676, 6 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxyp...) Show SMILES CC(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1CCN(CC(F)(F)F)CC1 |r,w:2.1| Show InChI InChI=1S/C35H37F3N8O3/c1-24(43-18-16-42(17-19-43)23-35(36,37)38)20-25(21-39)33(47)44-15-5-6-27(22-44)45-30-13-14-41-32(40)31(30)46(34(45)48)26-9-11-29(12-10-26)49-28-7-3-2-4-8-28/h2-4,7-14,20,24,27H,5-6,15-19,22-23H2,1H3,(H2,40,41)/t24?,27-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	25
PRINCIPIA BIOPHARMA INC. US Patent					Assay Description A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...				US Patent US9688676 (2017) BindingDB Entry DOI: 10.7270/Q2XD0ZVX
					More data for this Ligand-Target Pair