BDBM50299206 (S)-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-(1'-methyl-4,4'-bipiperidin-1-yl)propan-2-ol::CHEMBL583741

SMILES: CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1

InChI Key: InChIKey=AFEWQUPETLCNGJ-HKBQPEDESA-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 = 50299206   

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))	BDBM50299206 ((S)-1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phen...) Show SMILES CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C35H43Cl2N5O3S/c1-39-16-11-26(12-17-39)27-13-18-40(19-14-27)22-31(43)23-42-34-15-20-41(46(2,44)45)24-32(34)35(38-42)29-7-10-33(37)28(21-29)6-3-25-4-8-30(36)9-5-25/h4-5,7-10,21,26-27,31,43H,11-20,22-24H2,1-2H3/t31-/m0/s1	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	720	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))	BDBM50299206 ((S)-1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phen...) Show SMILES CN1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C35H43Cl2N5O3S/c1-39-16-11-26(12-17-39)27-13-18-40(19-14-27)22-31(43)23-42-34-15-20-41(46(2,44)45)24-32(34)35(38-42)29-7-10-33(37)28(21-29)6-3-25-4-8-30(36)9-5-25/h4-5,7-10,21,26-27,31,43H,11-20,22-24H2,1-2H3/t31-/m0/s1	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	10	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