BDBM50299183 CHEMBL573197::tert-butyl 4-(3-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-2-hydroxypropyl)piperazine-1-carboxylate

SMILES: CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=FYCUDBGTTRTECY-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 = 50299183   

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))	BDBM50299183 (CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3	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))	BDBM50299183 (CHEMBL573197 | tert-butyl 4-(3-(3-(4-chloro-3-((4-...) Show SMILES CC(C)(C)OC(=O)N1CCN(CC(O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C33H39Cl2N5O5S/c1-33(2,3)45-32(42)38-17-15-37(16-18-38)20-27(41)21-40-30-13-14-39(46(4,43)44)22-28(30)31(36-40)25-9-12-29(35)24(19-25)8-5-23-6-10-26(34)11-7-23/h6-7,9-12,19,27,41H,13-18,20-22H2,1-4H3	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	150	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