BDBM359045 (6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromethyl)phenyl]-1- hydroxyethyl}phenyl) imidazo[1,5-a]pyrazin- 3-yl]-1,1- dimethylhexahydroindolizin- 3(2H)-one::US10214546, Example 177

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F

InChI Key: InChIKey=MJWRHFLHDYAVOS-DJSKITOXSA-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 = 359045   

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))	BDBM359045 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-[3- (difluoromet...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)CC3(C)C)n2ccnc(N)c12)c1cccc(c1)C(F)F |r| Show InChI InChI=1S/C31H33F2N5O2/c1-30(2)16-24(39)38-17-20(9-12-23(30)38)29-36-25(26-28(34)35-13-14-37(26)29)18-7-10-21(11-8-18)31(3,40)22-6-4-5-19(15-22)27(32)33/h4-8,10-11,13-15,20,23,27,40H,9,12,16-17H2,1-3H3,(H2,34,35)/t20-,23+,31-/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	0.100	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 US10214546 (2019) BindingDB Entry DOI: 10.7270/Q24B33MR
					More data for this Ligand-Target Pair