BDBM350156 (1S,3R)-3-[8-amino-5- fluoro-1-(4-{(1R)-1- hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]-1,2,2- trimethylcyclopentane- carboxylic acid::US10208047, Example 24

SMILES: C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=WCECPYGZQSETOH-XYQOHPTNSA-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 = 350156   

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))	BDBM350156 ((1S,3R)-3-[8-amino-5- fluoro-1-(4-{(1R)-1- hydroxy...) Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2c(F)cnc(N)c12)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H30F4N4O3/c1-27(2)20(12-13-28(27,3)26(39)40)25-37-22(23-24(35)36-15-21(31)38(23)25)16-8-10-17(11-9-16)29(4,41)18-6-5-7-19(14-18)30(32,33)34/h5-11,14-15,20,41H,12-13H2,1-4H3,(H2,35,36)(H,39,40)/t20-,28+,29+/m0/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	6.30	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 US10208047 (2019) BindingDB Entry DOI: 10.7270/Q2M32XWT
					More data for this Ligand-Target Pair