BDBM50349206 CHEMBL1807702

SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=WTCANZGRFGLWSN-LUYDZRCASA-N

Data: 3 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 3 hits for monomerid = 50349206   

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))	BDBM50349206 (CHEMBL1807702) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H43N5O6S/c1-20-7-8-22(24(35)19-34(20)41(38,39)25-6-4-5-13-30-25)31-26(36)23(32-27(37)33-14-16-40-17-15-33)18-29-11-9-21(10-12-29)28(29,2)3/h4-6,13,20-23H,7-12,14-19H2,1-3H3,(H,31,36)(H,32,37)/t20-,21?,22+,23+,29?/m1/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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S using Ac-KQLR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50349206 (CHEMBL1807702) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H43N5O6S/c1-20-7-8-22(24(35)19-34(20)41(38,39)25-6-4-5-13-30-25)31-26(36)23(32-27(37)33-14-16-40-17-15-33)18-29-11-9-21(10-12-29)28(29,2)3/h4-6,13,20-23H,7-12,14-19H2,1-3H3,(H,31,36)(H,32,37)/t20-,21?,22+,23+,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L using Z-LR-AMC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50349206 (CHEMBL1807702) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC23CCC(CC2)C3(C)C)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C29H43N5O6S/c1-20-7-8-22(24(35)19-34(20)41(38,39)25-6-4-5-13-30-25)31-26(36)23(32-27(37)33-14-16-40-17-15-33)18-29-11-9-21(10-12-29)28(29,2)3/h4-6,13,20-23H,7-12,14-19H2,1-3H3,(H,31,36)(H,32,37)/t20-,21?,22+,23+,29?/m1/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	174	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K using z-LR-AFC as substrate by fluorescence assay				Bioorg Med Chem Lett 21: 4409-15 (2011) Article DOI: 10.1016/j.bmcl.2011.06.045 BindingDB Entry DOI: 10.7270/Q2TT4R90
					More data for this Ligand-Target Pair