BDBM362351 4-{7-amino-3-[(2R)-4- propanoylmorpholin-2- yl]-1H-pyrazolo[3,4-c] pyridin-1-yl}-N-[4- (trifluoromethyl)pyridin-2-yl] benzamide::US9834554, Example 3

SMILES: CCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12

InChI Key: InChIKey=QZNAGSJHKRXROB-LJQANCHMSA-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 = 362351   

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))	BDBM362351 (4-{7-amino-3-[(2R)-4- propanoylmorpholin-2- yl]-1H...) Show SMILES CCC(=O)N1CCO[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r| Show InChI InChI=1S/C26H24F3N7O3/c1-2-21(37)35-11-12-39-19(14-35)22-18-8-10-32-24(30)23(18)36(34-22)17-5-3-15(4-6-17)25(38)33-20-13-16(7-9-31-20)26(27,28)29/h3-10,13,19H,2,11-12,14H2,1H3,(H2,30,32)(H,31,33,38)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.80	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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