BDBM362374 4-{7-amino-3-[(3R)-1- (methoxyacetyl)piperidin-3-yl]- 1H-pyrazolo[3,4-c]pyridin-1-yl}- N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 18

SMILES: COCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12

InChI Key: InChIKey=SREOLMJFFXWZDA-QGZVFWFLSA-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 = 362374   

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))	BDBM362374 (4-{7-amino-3-[(3R)-1- (methoxyacetyl)piperidin-3-y...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r| Show InChI InChI=1S/C27H26F3N7O3/c1-40-15-22(38)36-12-2-3-17(14-36)23-20-9-11-33-25(31)24(20)37(35-23)19-6-4-16(5-7-19)26(39)34-21-13-18(8-10-32-21)27(28,29)30/h4-11,13,17H,2-3,12,14-15H2,1H3,(H2,31,33)(H,32,34,39)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
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