BDBM50313530 2-cycloheptyl-4-(3-morpholinopropyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile::CHEMBL1084124

SMILES: O=c1c(nn(C2CCCCCC2)c(=O)n1CCCN1CCOCC1)C#N

InChI Key: InChIKey=UNCARMCJLDOGTA-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50313530   

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))	BDBM50313530 (2-cycloheptyl-4-(3-morpholinopropyl)-3,5-dioxo-2,3...) Show SMILES O=c1c(nn(C2CCCCCC2)c(=O)n1CCCN1CCOCC1)C#N Show InChI InChI=1S/C18H27N5O3/c19-14-16-17(24)22(9-5-8-21-10-12-26-13-11-21)18(25)23(20-16)15-6-3-1-2-4-7-15/h15H,1-13H2	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	500	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: 1488-90 (2010) Article DOI: 10.1016/j.bmcl.2010.01.116 BindingDB Entry DOI: 10.7270/Q2RN380F
					More data for this Ligand-Target Pair