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Enter Data

BDBM50313465 4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyrimidine-2-carbonitrile::CHEMBL1079100

SMILES: CCCc1cc(nc(n1)C#N)-c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=AKJKYYDGUADZBI-UHFFFAOYSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50313465
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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	34	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
Schering-Plough Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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	28	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
Schering-Plough Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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	28	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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	34	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50313465 (4-(4-chloro-3-(trifluoromethyl)phenyl)-6-propylpyr...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair