BDBM50273287 2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid (1-methyl-4-phenyl-piperidin-4-yl)-amide::CHEMBL456134

SMILES: CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1

InChI Key: InChIKey=SOHAERZROOTNSG-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 = 50273287   

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))	BDBM50273287 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-33-15-13-27(14-16-33,21-5-3-2-4-6-21)32-25(34)22-19-29-23(17-28)31-24(22)30-18-20-7-9-26(10-8-20)11-12-26/h2-6,19-20H,7-16,18H2,1H3,(H,32,34)(H,29,30,31)	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	7	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 fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50273287 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)(NC(=O)c1cnc(nc1NCC1CCC2(CC2)CC1)C#N)c1ccccc1 Show InChI InChI=1S/C27H34N6O/c1-33-15-13-27(14-16-33,21-5-3-2-4-6-21)32-25(34)22-19-29-23(17-28)31-24(22)30-18-20-7-9-26(10-8-20)11-12-26/h2-6,19-20H,7-16,18H2,1H3,(H,32,34)(H,29,30,31)	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	510	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 fluorometric assay				Bioorg Med Chem Lett 18: 4642-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.011 BindingDB Entry DOI: 10.7270/Q2WH2PS6
					More data for this Ligand-Target Pair