BDBM350136 (1S,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (trifluoromethyl)phenyl] ethyl}phenyl)imidazo[1,5- a]pyrazin-3-yl]-1-(1- methylethyl)cyclopentane- carboxylic acid::US10208047, Example 4

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

InChI Key: InChIKey=SMRRKWFDSZKPOJ-GULPDURKSA-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 = 350136   

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))	BDBM350136 ((1S,3S)-3-[8-amino-1-(4- {(1S)-1-hydroxy-1-[3- (tr...) Show SMILES CC(C)[C@@]1(CC[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/C30H31F3N4O3/c1-17(2)29(27(38)39)12-11-19(16-29)26-36-23(24-25(34)35-13-14-37(24)26)18-7-9-20(10-8-18)28(3,40)21-5-4-6-22(15-21)30(31,32)33/h4-10,13-15,17,19,40H,11-12,16H2,1-3H3,(H2,34,35)(H,38,39)/t19-,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	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