BDBM50349204 CHEMBL1807699

SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=BVIAUHFJTQDKSF-HJNYFJLDSA-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 = 50349204   

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))	BDBM50349204 (CHEMBL1807699) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H38N4O6S/c1-19-9-10-21(23(33)18-32(19)39(36,37)25-8-4-5-15-29-25)30-26(34)22(31-27(35)24-7-6-16-38-24)17-20-11-13-28(2,3)14-12-20/h4-8,15-16,19-22H,9-14,17-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,21+,22+/m1/s1	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	1.20	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))	BDBM50349204 (CHEMBL1807699) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H38N4O6S/c1-19-9-10-21(23(33)18-32(19)39(36,37)25-8-4-5-15-29-25)30-26(34)22(31-27(35)24-7-6-16-38-24)17-20-11-13-28(2,3)14-12-20/h4-8,15-16,19-22H,9-14,17-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58.5	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))	BDBM50349204 (CHEMBL1807699) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2CCC(C)(C)CC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C28H38N4O6S/c1-19-9-10-21(23(33)18-32(19)39(36,37)25-8-4-5-15-29-25)30-26(34)22(31-27(35)24-7-6-16-38-24)17-20-11-13-28(2,3)14-12-20/h4-8,15-16,19-22H,9-14,17-18H2,1-3H3,(H,30,34)(H,31,35)/t19-,21+,22+/m1/s1	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	6.20E+3	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