BDBM358947 (6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1- [3-(2,2,2- trifluoroethyl)phenyl]ethyl} phenyl)imidazo[1,5- a]pyrazin-3- yl]hexahydroindolizin- 3(2H)-one::US10214546, Example 78

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1

InChI Key: InChIKey=GETKIQHQJNQKPH-YOZPAVSOSA-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 = 358947   

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))	BDBM358947 ((6R,8aS)-6-[8-amino-1- (4-{(1R)-1-hydroxy-1- [3-(2...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(CC(F)(F)F)c1 |r| Show InChI InChI=1S/C30H30F3N5O2/c1-29(40,22-4-2-3-18(15-22)16-30(31,32)33)21-8-5-19(6-9-21)25-26-27(34)35-13-14-37(26)28(36-25)20-7-10-23-11-12-24(39)38(23)17-20/h2-6,8-9,13-15,20,23,40H,7,10-12,16-17H2,1H3,(H2,34,35)/t20-,23+,29-/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	0.170	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