BDBM362392 4-{7-amino-3-[(3R)-1- (ethoxyacetyl)piperidin-3- yl]-1H-pyrazolo[3,4-c]pyridin-1-yl}- N-[4-(trifluoromethyl)pyridin- 2-yl]benzamide::US9834554, Example 22

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

InChI Key: InChIKey=DGHMZLWZINHYEQ-GOSISDBHSA-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 = 362392   

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))	BDBM362392 (4-{7-amino-3-[(3R)-1- (ethoxyacetyl)piperidin-3- y...) Show SMILES CCOCC(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12 |r| Show InChI InChI=1S/C28H28F3N7O3/c1-2-41-16-23(39)37-13-3-4-18(15-37)24-21-10-12-34-26(32)25(21)38(36-24)20-7-5-17(6-8-20)27(40)35-22-14-19(9-11-33-22)28(29,30)31/h5-12,14,18H,2-4,13,15-16H2,1H3,(H2,32,34)(H,33,35,40)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	1.20	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
					More data for this Ligand-Target Pair