BDBM50349205 CHEMBL1807700

SMILES: C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1

InChI Key: InChIKey=BFGMUSWYFUOFKU-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 = 50349205   

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))	BDBM50349205 (CHEMBL1807700) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C26H39N5O6S/c1-19-9-11-21(23(32)18-31(19)38(35,36)24-8-4-5-13-27-24)28-25(33)22(12-10-20-6-2-3-7-20)29-26(34)30-14-16-37-17-15-30/h4-5,8,13,19-22H,2-3,6-7,9-12,14-18H2,1H3,(H,28,33)(H,29,34)/t19-,21+,22+/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	0.580	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))	BDBM50349205 (CHEMBL1807700) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C26H39N5O6S/c1-19-9-11-21(23(32)18-31(19)38(35,36)24-8-4-5-13-27-24)28-25(33)22(12-10-20-6-2-3-7-20)29-26(34)30-14-16-37-17-15-30/h4-5,8,13,19-22H,2-3,6-7,9-12,14-18H2,1H3,(H,28,33)(H,29,34)/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 Patents Similars	Article PubMed	n/a	n/a	10.8	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))	BDBM50349205 (CHEMBL1807700) Show SMILES C[C@@H]1CC[C@H](NC(=O)[C@H](CCC2CCCC2)NC(=O)N2CCOCC2)C(=O)CN1S(=O)(=O)c1ccccn1 |r| Show InChI InChI=1S/C26H39N5O6S/c1-19-9-11-21(23(32)18-31(19)38(35,36)24-8-4-5-13-27-24)28-25(33)22(12-10-20-6-2-3-7-20)29-26(34)30-14-16-37-17-15-30/h4-5,8,13,19-22H,2-3,6-7,9-12,14-18H2,1H3,(H,28,33)(H,29,34)/t19-,21+,22+/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	1.10E+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