BDBM50152989 3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-1-(4-(2-cyanophenyl)piperazin-1-yl)propan-2-yl carbamate::CHEMBL178194::Carbamic acid 1-[5-carbamoyl-3-(4-iodo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-ylmethyl]-2-[4-(2-cyano-phenyl)-piperazin-1-yl]-ethyl ester::Carbamic acid 2-[5-carbamoyl-3-(4-iodo-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-1-[4-(2-cyano-phenyl)-piperazin-1-ylmethyl]-ethyl ester

SMILES: NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1

InChI Key: InChIKey=OPNPKOZGYIOUCH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50152989   

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))	BDBM50152989 (3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydro...) Show SMILES NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against human cysteine protease cathepsin S				J Med Chem 47: 4799-801 (2004) Article DOI: 10.1021/jm0496133 BindingDB Entry DOI: 10.7270/Q28P6008
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152989 (3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydro...) Show SMILES NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)	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	800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human JY cells by invariant chain degradation assay				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152989 (3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydro...) Show SMILES NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)	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 & Development Curated by ChEMBL					Assay Description Inhibition of human cathepsin S				Bioorg Med Chem Lett 17: 5525-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.038 BindingDB Entry DOI: 10.7270/Q2ST7PKK
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50152989 (3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydro...) Show SMILES NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1 Show InChI InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson and Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against cathepsin S				Bioorg Med Chem Lett 15: 1687-91 (2005) Article DOI: 10.1016/j.bmcl.2005.01.045 BindingDB Entry DOI: 10.7270/Q2HM57ZT
					More data for this Ligand-Target Pair