BDBM50323076 4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitrile::CHEMBL1209309

SMILES: CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N

InChI Key: InChIKey=UOEMJLRQPFDRNW-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 = 50323076   

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))	BDBM50323076 (4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...) Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3	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))	BDBM50323076 (4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...) Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3	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))	BDBM50323076 (4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...) Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3	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	166	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))	BDBM50323076 (4-propyl-6-(3-propylphenyl)pyrimidine-2-carbonitri...) Show SMILES CCCc1cccc(c1)-c1cc(CCC)nc(n1)C#N Show InChI InChI=1S/C17H19N3/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)19-17(12-18)20-16/h5,8-11H,3-4,6-7H2,1-2H3	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	410	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