BDBM50273220 2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrimidine-5-carboxylic acid [5-(1-methyl-piperidin-4-yloxy)-biphenyl-2-yl]-amide::CHEMBL443161

SMILES: CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1

InChI Key: InChIKey=PTUYLYPDSJMPGU-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 = 50273220   

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))	BDBM50273220 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H38N6O2/c1-39-17-11-25(12-18-39)41-26-7-8-29(27(19-26)24-5-3-2-4-6-24)37-32(40)28-22-35-30(20-34)38-31(28)36-21-23-9-13-33(14-10-23)15-16-33/h2-8,19,22-23,25H,9-18,21H2,1H3,(H,37,40)(H,35,36,38)	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	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 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))	BDBM50273220 (2-Cyano-4-[(spiro[2.5]oct-6-ylmethyl)-amino]-pyrim...) Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2cnc(nc2NCC2CCC3(CC3)CC2)C#N)c(c1)-c1ccccc1 Show InChI InChI=1S/C33H38N6O2/c1-39-17-11-25(12-18-39)41-26-7-8-29(27(19-26)24-5-3-2-4-6-24)37-32(40)28-22-35-30(20-34)38-31(28)36-21-23-9-13-33(14-10-23)15-16-33/h2-8,19,22-23,25H,9-18,21H2,1H3,(H,37,40)(H,35,36,38)	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	840	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