BDBM50313463 4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile::CHEMBL1079098

SMILES: CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F

InChI Key: InChIKey=IJNQZOFEOIIHFT-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50313463   

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))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	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	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 1524-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.100 BindingDB Entry DOI: 10.7270/Q24X57ZH
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 B				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))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	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	>1.00E+4	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
Cathepsin K (Homo sapiens (Human))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	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	4.07E+3	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
Procathepsin L (Homo sapiens (Human))	BDBM50313463 (4-propyl-6-(2-(trifluoromethyl)phenyl)pyrimidine-2...) Show SMILES CCCc1cc(nc(n1)C#N)-c1ccccc1C(F)(F)F Show InChI InChI=1S/C15H12F3N3/c1-2-5-10-8-13(21-14(9-19)20-10)11-6-3-4-7-12(11)15(16,17)18/h3-4,6-8H,2,5H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 L				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