BDBM174410 US9688676, 10 (R)-methyl4-(5-(3-(4-amino-2-oxo-3-(4-phenoxyphenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl)-4-cyano-2-methyl-5-oxopent-3-en-2-yl)piperazine-1-carboxylate

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

InChI Key: InChIKey=HQJSXIBOAAVEED-HHHXNRCGSA-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 = 174410   

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))	BDBM174410 (US9688676, 10 (R)-methyl4-(5-(3-(4-amino-2-oxo-3-(...) Show SMILES COC(=O)N1CCN(CC1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:13.13| Show InChI InChI=1S/C36H40N8O5/c1-36(2,42-20-18-40(19-21-42)35(47)48-3)22-25(23-37)33(45)41-17-7-8-27(24-41)43-30-15-16-39-32(38)31(30)44(34(43)46)26-11-13-29(14-12-26)49-28-9-5-4-6-10-28/h4-6,9-16,22,27H,7-8,17-21,24H2,1-3H3,(H2,38,39)/t27-/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	7	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
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