BDBM174560 US9688676, 24 (R)-2-(3-(4-amino-3-(4-(2,6-difluorophenoxy)phenyl)-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(Oc3c(F)cccc3F)cc2)c1=O)N1CCN(CC1)C1COC1

InChI Key: InChIKey=MWRHXWOUGSEJPL-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 = 174560   

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))	BDBM174560 (US9688676, 24 (R)-2-(3-(4-amino-3-(4-(2,6-difluoro...) Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3c(F)cccc3F)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2| Show InChI InChI=1S/C37H40F2N8O4/c1-37(2,45-17-15-43(16-18-45)27-22-50-23-27)19-24(20-40)35(48)44-14-4-5-26(21-44)46-31-12-13-42-34(41)32(31)47(36(46)49)25-8-10-28(11-9-25)51-33-29(38)6-3-7-30(33)39/h3,6-13,19,26-27H,4-5,14-18,21-23H2,1-2H3,(H2,41,42)/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	4.70	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