BDBM359068 (6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)phenyl]- 1-hydroxyethyl}-2- fluorophenyl)imidazo[1,5- a]pyrazin-3-yl]-1,1- dimethylhexahydroindolizin- 3(2H)-one::US10214546, Example 200::US10214546, Example 202

SMILES: CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1

InChI Key: InChIKey=OSANIZACUZPQQC-BQIYPMEJSA-N

Data: 2 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 2 hits for monomerid = 359068   

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))	BDBM359068 ((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...) Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1 |r| Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)15-24(40)39-16-18(7-10-23(30)39)29-37-25(26-28(35)36-11-12-38(26)29)21-9-8-20(14-22(21)32)31(3,41)19-6-4-5-17(13-19)27(33)34/h4-6,8-9,11-14,18,23,27,41H,7,10,15-16H2,1-3H3,(H2,35,36)/t18-,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	0.160	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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM359068 ((6R,8aS)-6-[8-amino-1- (4-{1-[3- (difluoromethyl)p...) Show SMILES CC(O)(c1cccc(c1)C(F)F)c1ccc(-c2nc([C@@H]3CC[C@@H]4N(C3)C(=O)CC4(C)C)n3ccnc(N)c23)c(F)c1 |r| Show InChI InChI=1S/C31H32F3N5O2/c1-30(2)15-24(40)39-16-18(7-10-23(30)39)29-37-25(26-28(35)36-11-12-38(26)29)21-9-8-20(14-22(21)32)31(3,41)19-6-4-5-17(13-19)27(33)34/h4-6,8-9,11-14,18,23,27,41H,7,10,15-16H2,1-3H3,(H2,35,36)/t18-,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	53.8	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