BDBM50252504 6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL494886

SMILES: Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1

InChI Key: InChIKey=YWMLMYKWRUODJF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50252504   

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))	BDBM50252504 (6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2	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+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 human recombinant cathepsin L by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50252504 (6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2	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	>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 human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50252504 (6-(4-chlorobenzyl)-7-(3-cyclohexylpropyl)-7H-pyrro...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2CCCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C23H25ClN4/c24-20-10-8-18(9-11-20)13-21-14-19-16-26-22(15-25)27-23(19)28(21)12-4-7-17-5-2-1-3-6-17/h8-11,14,16-17H,1-7,12-13H2	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay				Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B
					More data for this Ligand-Target Pair