BDBM288553 4-[8-amino-1-(2- hydroxy-4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3- yl]bicyclo[2.2.2] octane-1-carboxylic acid::US10087188, Example 161

SMILES: Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O

InChI Key: InChIKey=MGXIIXSRWGPBAJ-UHFFFAOYSA-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 = 288553   

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))	BDBM288553 (4-[8-amino-1-(2- hydroxy-4-{[4- (trifluoromethyl) ...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3O)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C28H25F3N6O4/c29-28(30,31)16-3-10-33-19(14-16)35-23(39)15-1-2-17(18(38)13-15)20-21-22(32)34-11-12-37(21)24(36-20)26-4-7-27(8-5-26,9-6-26)25(40)41/h1-3,10-14,38H,4-9H2,(H2,32,34)(H,40,41)(H,33,35,39)	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	0.410	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