BDBM50299196 CHEMBL573657::N-(4-((2-chloro-5-(5-(methylsulfonyl)-1-(3-morpholinopropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)phenyl)ethynyl)benzyl)-1-(4-methoxyphenyl)methanamine

SMILES: COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1

InChI Key: InChIKey=RDBXEODYTOMMBB-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 = 50299196   

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))	BDBM50299196 (CHEMBL573657 | N-(4-((2-chloro-5-(5-(methylsulfony...) Show SMILES COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1 Show InChI InChI=1S/C37H42ClN5O4S/c1-46-33-13-9-30(10-14-33)26-39-25-29-6-4-28(5-7-29)8-11-31-24-32(12-15-35(31)38)37-34-27-42(48(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-47-23-21-41/h4-7,9-10,12-15,24,39H,3,16-23,25-27H2,1-2H3	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	820	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))	BDBM50299196 (CHEMBL573657 | N-(4-((2-chloro-5-(5-(methylsulfony...) Show SMILES COc1ccc(CNCc2ccc(cc2)C#Cc2cc(ccc2Cl)-c2nn(CCCN3CCOCC3)c3CCN(Cc23)S(C)(=O)=O)cc1 Show InChI InChI=1S/C37H42ClN5O4S/c1-46-33-13-9-30(10-14-33)26-39-25-29-6-4-28(5-7-29)8-11-31-24-32(12-15-35(31)38)37-34-27-42(48(2,44)45)19-16-36(34)43(40-37)18-3-17-41-20-22-47-23-21-41/h4-7,9-10,12-15,24,39H,3,16-23,25-27H2,1-2H3	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	230	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