BDBM350163 (1S,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (difluoromethyl)phenyl]-1- hydroxyethyl}phenyl)imidazo [1,5-a]pyrazin-3-yl]-1-(1- methylethyl)cyclopentane- carboxylic acid::US10208047, Example 31

SMILES: CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O

InChI Key: InChIKey=XIPWRIMFDHRJSS-VZILEOBVSA-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 = 350163   

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))	BDBM350163 ((1S,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...) Show SMILES CC(C)[C@@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O |r| Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30-/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	133	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