BDBM288561 4-(8-amino-1-{4-[(4- cyclopropylpyridin-2- yl)carbamoyl]phenyl} imidazo[1,5-a]pyrazin- 3- yl)bicyclo[2.2.2] octane-1-carboxylic acid::US10087188, Example 169

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)C12CCC(CC1)(CC2)C(O)=O

InChI Key: InChIKey=ACCFFAKVNQYGRK-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 = 288561   

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))	BDBM288561 (4-(8-amino-1-{4-[(4- cyclopropylpyridin-2- yl)carb...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)C12CCC(CC1)(CC2)C(O)=O Show InChI InChI=1S/C30H30N6O3/c31-25-24-23(19-3-5-20(6-4-19)26(37)34-22-17-21(7-14-32-22)18-1-2-18)35-27(36(24)16-15-33-25)29-8-11-30(12-9-29,13-10-29)28(38)39/h3-7,14-18H,1-2,8-13H2,(H2,31,33)(H,38,39)(H,32,34,37)	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	0.190	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