BDBM174601 US9688676, 36 (S)-2-(2-((4-amino-2-oxo-3-(4-phenoxyphenyl)-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)methyl)pyrrolidine-1-carbonyl)-4-methyl-4-(methyl(oxetan-3-yl)amino)pent-2-enenitrile

SMILES: CC(C)(CNC1COC1)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=DXSFPHNAYJDUOE-QAHUDSGCSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174601   

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))	BDBM174601 (US9688676, 36 (S)-2-(2-((4-amino-2-oxo-3-(4-phenox...) Show SMILES CC(C)(CNC1COC1)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r| Show InChI InChI=1S/C34H37N7O4/c1-34(2,22-38-24-20-44-21-24)17-23(18-35)32(42)39-16-6-7-26(39)19-40-29-14-15-37-31(36)30(29)41(33(40)43)25-10-12-28(13-11-25)45-27-8-4-3-5-9-27/h3-5,8-15,17,24,26,38H,6-7,16,19-22H2,1-2H3,(H2,36,37)/b23-17+/t26-/m0/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	16	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