BDBM288462 (1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) pyridin-2- yl]carbamoyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-1,2,2- trimethylcyclopentane carboxylic acid::US10087188, Example 69

SMILES: CC1(C)[C@@H](CC[C@]1(C)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12

InChI Key: InChIKey=HRQOQLKLSPDLAI-XRHLQHRESA-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 = 288462   

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))	BDBM288462 ((1S,3R)-3-[8-amino-1- (4-{[4- (trifluoromethyl) py...) Show SMILES CC1(C)[C@@H](CC[C@]1(C)C(O)=O)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F3N6O3/c1-26(2)18(8-10-27(26,3)25(39)40)23-36-20(21-22(32)34-12-13-37(21)23)15-4-6-16(7-5-15)24(38)35-19-14-17(9-11-33-19)28(29,30)31/h4-7,9,11-14,18H,8,10H2,1-3H3,(H2,32,34)(H,39,40)(H,33,35,38)/t18-,27+/m0/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	0.370	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