BDBM50313473 4-cycloheptyl-6-propylpyrimidine-2-carbonitrile::CHEMBL1085423

SMILES: CCCc1cc(nc(n1)C#N)C1CCCCCC1

InChI Key: InChIKey=UOAUUFFKQMFGTJ-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 = 50313473   

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 S (Homo sapiens (Human))	BDBM50313473 (4-cycloheptyl-6-propylpyrimidine-2-carbonitrile | ...) Show SMILES CCCc1cc(nc(n1)C#N)C1CCCCCC1 Show InChI InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3	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	1.30E+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 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 K (Homo sapiens (Human))	BDBM50313473 (4-cycloheptyl-6-propylpyrimidine-2-carbonitrile | ...) Show SMILES CCCc1cc(nc(n1)C#N)C1CCCCCC1 Show InChI InChI=1S/C15H21N3/c1-2-7-13-10-14(18-15(11-16)17-13)12-8-5-3-4-6-9-12/h10,12H,2-9H2,1H3	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	84	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				3D Structure (docked)