BDBM174578 US9688676, 27 (R)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile

SMILES: CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2F)c1=O)N1CCN(CC1)C1COC1

InChI Key: InChIKey=FMHVSJXKUDWAOF-AREMUKBSSA-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 = 174578   

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))	BDBM174578 (US9688676, 27 (R)-2-(3-(4-amino-3-(2-fluoro-4-phen...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2F)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2,wD:13.15,(-3.81,-5.57,;-4.96,-6.6,;-6.1,-7.63,;-3.93,-7.74,;-2.42,-7.42,;-1.39,-8.57,;-.36,-9.71,;-1.94,-5.96,;-2.97,-4.81,;-.44,-5.64,;.59,-6.78,;2.1,-6.46,;2.58,-5,;1.54,-3.85,;.04,-4.17,;2.02,-2.39,;3.49,-1.91,;4.82,-2.68,;6.15,-1.91,;6.15,-.37,;4.82,.4,;4.82,1.94,;3.49,-.37,;2.02,.11,;1.54,1.57,;2.58,2.71,;2.1,4.18,;.59,4.5,;.12,5.96,;1.15,7.11,;.67,8.57,;1.7,9.72,;3.21,9.4,;3.68,7.93,;2.65,6.79,;-.44,3.35,;.04,1.89,;-.99,.75,;1.12,-1.14,;-.42,-1.14,;-5.99,-5.45,;-7.49,-5.77,;-8.52,-4.63,;-8.05,-3.16,;-6.54,-2.84,;-5.51,-3.99,;-9.08,-2.02,;-10.62,-1.94,;-10.54,-.4,;-9,-.48,)| Show InChI InChI=1S/C37H41FN8O4/c1-37(2,44-17-15-42(16-18-44)27-23-49-24-27)20-25(21-39)35(47)43-14-6-7-26(22-43)45-32-12-13-41-34(40)33(32)46(36(45)48)31-11-10-29(19-30(31)38)50-28-8-4-3-5-9-28/h3-5,8-13,19-20,26-27H,6-7,14-18,22-24H2,1-2H3,(H2,40,41)/t26-/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	4.90	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