BDBM50252547 6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL521700

SMILES: Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1

InChI Key: InChIKey=BJARUCXSUFPSCE-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 = 50252547   

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))	BDBM50252547 (6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...) Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1 Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2	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	86	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))	BDBM50252547 (6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...) Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1 Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2	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))	BDBM50252547 (6-(4-chlorobenzyl)-7-(4-chlorophenethyl)-7H-pyrrol...) Show SMILES Clc1ccc(CCn2c(Cc3ccc(Cl)cc3)cc3cnc(nc23)C#N)cc1 Show InChI InChI=1S/C22H16Cl2N4/c23-18-5-1-15(2-6-18)9-10-28-20(11-16-3-7-19(24)8-4-16)12-17-14-26-21(13-25)27-22(17)28/h1-8,12,14H,9-11H2	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	19	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