BDBM50252652 7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL523037

SMILES: N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1

InChI Key: InChIKey=GRDSFPVSILXSFF-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 = 50252652   

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))	BDBM50252652 (7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...) Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2	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	24	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
Procathepsin L (Homo sapiens (Human))	BDBM50252652 (7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...) Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2	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 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))	BDBM50252652 (7-(2-cyclohexylethyl)-6-((phenylamino)methyl)-7H-p...) Show SMILES N#Cc1ncc2cc(CNc3ccccc3)n(CCC3CCCCC3)c2n1 Show InChI InChI=1S/C22H25N5/c23-14-21-25-15-18-13-20(16-24-19-9-5-2-6-10-19)27(22(18)26-21)12-11-17-7-3-1-4-8-17/h2,5-6,9-10,13,15,17,24H,1,3-4,7-8,11-12,16H2	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