BDBM358985 (6R,8aS)-6-(8-amino-5- chloro-1-{4-[(1R)-1-(3- cyclopropylphenyl)-1- hydroxyethyl]phenyl} imidazo[1,5-a]pyrazin-3- yl)hexahydroindolizin- 3(2H)-one::US10214546, Example 117

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1

InChI Key: InChIKey=WCZCYMHMCMIKRL-JUYYVNKFSA-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 = 358985   

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))	BDBM358985 ((6R,8aS)-6-(8-amino-5- chloro-1-{4-[(1R)-1-(3- cyc...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)c1cccc(c1)C1CC1 |r| Show InChI InChI=1S/C31H32ClN5O2/c1-31(39,23-4-2-3-20(15-23)18-5-6-18)22-10-7-19(8-11-22)27-28-29(33)34-16-25(32)37(28)30(35-27)21-9-12-24-13-14-26(38)36(24)17-21/h2-4,7-8,10-11,15-16,18,21,24,39H,5-6,9,12-14,17H2,1H3,(H2,33,34)/t21-,24+,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	0.120	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