BDBM50322918 4-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile::CHEMBL1210690

SMILES: OCCCOc1ccc(cc1C(F)(F)F)-c1ccnc(n1)C#N

InChI Key: InChIKey=CCFPTWLGKMFRNV-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 = 50322918   

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))	BDBM50322918 (4-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)...) Show SMILES OCCCOc1ccc(cc1C(F)(F)F)-c1ccnc(n1)C#N Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)11-8-10(2-3-13(11)23-7-1-6-22)12-4-5-20-14(9-19)21-12/h2-5,8,22H,1,6-7H2	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin K by fluorescence assay				Bioorg Med Chem Lett 20: 4507-10 (2010) Article DOI: 10.1016/j.bmcl.2010.06.043 BindingDB Entry DOI: 10.7270/Q2SJ1KTF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50322918 (4-(4-(3-hydroxypropoxy)-3-(trifluoromethyl)phenyl)...) Show SMILES OCCCOc1ccc(cc1C(F)(F)F)-c1ccnc(n1)C#N Show InChI InChI=1S/C15H12F3N3O2/c16-15(17,18)11-8-10(2-3-13(11)23-7-1-6-22)12-4-5-20-14(9-19)21-12/h2-5,8,22H,1,6-7H2	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	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 4507-10 (2010) Article DOI: 10.1016/j.bmcl.2010.06.043 BindingDB Entry DOI: 10.7270/Q2SJ1KTF
					More data for this Ligand-Target Pair