BDBM288355 (1S,3R)-3-[8- amino-1-(2- fluoro-4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl} phenyl)imidazo [1,5-a]pyrazin-3- yl]cyclohexane- carboxylic acid::US10087188, Example 10

SMILES: Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O

InChI Key: InChIKey=VSZGIHXMKQGEBL-HIFRSBDPSA-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 = 288355   

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))	BDBM288355 ((1S,3R)-3-[8- amino-1-(2- fluoro-4-{[4- (trifluoro...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C26H22F4N6O3/c27-18-11-14(24(37)34-19-12-16(6-7-32-19)26(28,29)30)4-5-17(18)20-21-22(31)33-8-9-36(21)23(35-20)13-2-1-3-15(10-13)25(38)39/h4-9,11-13,15H,1-3,10H2,(H2,31,33)(H,38,39)(H,32,34,37)/t13-,15+/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	0.390	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 US10087188 (2018) BindingDB Entry DOI: 10.7270/Q2GF0WJC
					More data for this Ligand-Target Pair