BDBM50223940 6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL250165

SMILES: CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N

InChI Key: InChIKey=KHSCSGHOOCDLTL-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 = 50223940   

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))	BDBM50223940 (6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...) Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,7-8H2,1-3H3	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50223940 (6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...) Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,7-8H2,1-3H3	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin S by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair