BDBM350146 (1S,3R)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]-1-(1- methylethyl)cyclohexane- carboxylic acid::US10208047, Example 14

SMILES: CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O

InChI Key: InChIKey=AAPXQEUSUAUPKI-LYWBODIJSA-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 = 350146   

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))	BDBM350146 ((1S,3R)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@@]1(CCC[C@H](C1)c1nc(-c2ccc(cc2)[C@](C)(O)c2cccc(c2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r| Show InChI InChI=1S/C31H33F3N4O3/c1-18(2)30(28(39)40)13-5-6-20(17-30)27-37-24(25-26(35)36-14-15-38(25)27)19-9-11-21(12-10-19)29(3,41)22-7-4-8-23(16-22)31(32,33)34/h4,7-12,14-16,18,20,41H,5-6,13,17H2,1-3H3,(H2,35,36)(H,39,40)/t20-,29+,30+/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	1.00E+3	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