BDBM50323091 2-(4-methoxy-3-(trifluoromethyl)phenyl)-9H-purine-6-carbonitrile::CHEMBL1209530

SMILES: COc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1

InChI Key: InChIKey=YTVQPMYKXWVGGZ-UHFFFAOYSA-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 = 50323091   

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
Cathepsin K (Homo sapiens (Human))	BDBM50323091 (2-(4-methoxy-3-(trifluoromethyl)phenyl)-9H-purine-...) Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C14H8F3N5O/c1-23-10-3-2-7(4-8(10)14(15,16)17)12-21-9(5-18)11-13(22-12)20-6-19-11/h2-4,6H,1H3,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50323091 (2-(4-methoxy-3-(trifluoromethyl)phenyl)-9H-purine-...) Show SMILES COc1ccc(cc1C(F)(F)F)-c1nc(C#N)c2[nH]cnc2n1 Show InChI InChI=1S/C14H8F3N5O/c1-23-10-3-2-7(4-8(10)14(15,16)17)12-21-9(5-18)11-13(22-12)20-6-19-11/h2-4,6H,1H3,(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S				Bioorg Med Chem Lett 20: 4447-50 (2010) Article DOI: 10.1016/j.bmcl.2010.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4JP2
					More data for this Ligand-Target Pair