BDBM50323072 4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitrile::CHEMBL1209245

SMILES: CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1

InChI Key: InChIKey=WAGDARZNQCGUPI-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50323072   

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
Procathepsin L (Homo sapiens (Human))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	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
Cathepsin B (Homo sapiens (Human))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	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 K (Homo sapiens (Human))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	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	60	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))	BDBM50323072 (4-(3-chlorophenyl)-6-propylpyrimidine-2-carbonitri...) Show SMILES CCCc1cc(nc(n1)C#N)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H12ClN3/c1-2-4-12-8-13(18-14(9-16)17-12)10-5-3-6-11(15)7-10/h3,5-8H,2,4H2,1H3	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	148	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