BDBM50349211 CHEMBL1807652

SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=XRICMNUNFOJQLQ-HKBOAZHASA-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 = 50349211   

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 K (Homo sapiens (Human))	BDBM50349211 (CHEMBL1807652) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N4O6S/c1-19-11-12-20(22(32)18-31(19)38(35,36)24-10-4-7-15-28-24)29-25(33)21(17-27(2)13-5-3-6-14-27)30-26(34)23-9-8-16-37-23/h4,7-10,15-16,19-21H,3,5-6,11-14,17-18H2,1-2H3,(H,29,33)(H,30,34)/t19-,20+,21+/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	44.5	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
Cathepsin S (Homo sapiens (Human))	BDBM50349211 (CHEMBL1807652) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N4O6S/c1-19-11-12-20(22(32)18-31(19)38(35,36)24-10-4-7-15-28-24)29-25(33)21(17-27(2)13-5-3-6-14-27)30-26(34)23-9-8-16-37-23/h4,7-10,15-16,19-21H,3,5-6,11-14,17-18H2,1-2H3,(H,29,33)(H,30,34)/t19-,20+,21+/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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cathepsin S in human Raji cells assessed as decrease in cell surface expression of MHC class 2/CLIP by flow cytometric analysis				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))	BDBM50349211 (CHEMBL1807652) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CC2(C)CCCCC2)NC(=O)c2ccco2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C27H36N4O6S/c1-19-11-12-20(22(32)18-31(19)38(35,36)24-10-4-7-15-28-24)29-25(33)21(17-27(2)13-5-3-6-14-27)30-26(34)23-9-8-16-37-23/h4,7-10,15-16,19-21H,3,5-6,11-14,17-18H2,1-2H3,(H,29,33)(H,30,34)/t19-,20+,21+/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	31.9	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