BDBM50299182 1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-morpholinopropan-2-ol::CHEMBL573729

SMILES: CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1

InChI Key: InChIKey=PXKOHHBXQMUYBL-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 = 50299182   

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))	BDBM50299182 (1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N4O4S/c1-39(36,37)33-11-10-27-25(19-33)28(31-34(27)18-24(35)17-32-12-14-38-15-13-32)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,35H,10-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells assessed as invariant chain li degradation by western blotting				Bioorg Med Chem Lett 19: 6135-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.013 BindingDB Entry DOI: 10.7270/Q2R49QTP
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50299182 (1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-...) Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1 Show InChI InChI=1S/C28H30Cl2N4O4S/c1-39(36,37)33-11-10-27-25(19-33)28(31-34(27)18-24(35)17-32-12-14-38-15-13-32)22-6-9-26(30)21(16-22)5-2-20-3-7-23(29)8-4-20/h3-4,6-9,16,24,35H,10-15,17-19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S expressed in baculovirus by FRET assay				Bioorg Med Chem Lett 19: 6135-9 (2009) Article DOI: 10.1016/j.bmcl.2009.09.013 BindingDB Entry DOI: 10.7270/Q2R49QTP
					More data for this Ligand-Target Pair