BindingDB PrimarySearch

BDBM50169488 (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE::(R)-3,3-dimethyl-1-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)butan-2-yl(S)-1,2-dioxo-1-(2-oxooxazolidin-3-ylamino)heptan-3-ylcarbamate::CHEMBL365822::[(S)-1-(2-Oxo-oxazolidin-3-ylaminooxalyl)-pentyl]-carbamic acid (R)-2,2-dimethyl-1-[5-(4-trifluoromethyl-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-propyl ester

SMILES: CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(cc1)C(F)(F)F)C(C)(C)C)C(=O)C(=O)NN1CCOC1=O

InChI Key: InChIKey=IXXKXSFSQVTOKQ-ZWKOTPCHSA-N

Data: 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50169488
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cathepsin K (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin K in fluorescence assay with 100 mM NaOAc				Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin (B and K) (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 10 lM Cbz-Phe-Arg-AMC binding to human cathepsin B activity in fluorescence assay with 100 mM NaOAc				Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.129	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Eur J Med Chem 45: 667-81 (2010) Article DOI: 10.1016/j.ejmech.2009.11.010 BindingDB Entry DOI: 10.7270/Q29C6ZP1
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin L1 (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 5 lM Cbz-Phe-Arg-AMC bindign to human cathepsin L activity in fluorescence assay with 100 mM NaOAc				Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 10 lM Cbz-Val-Val-Arg-AMC binding to human cathepsin S in fluorescence assay with 100 mM NaOAc				Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin V (Homo sapiens (Human))	BDBM50169488 ((1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of 2 lM Cbz-Phe-Arg-AMC binding to human cathepsin V activity in fluorescence assay with 100 mM NaOAc				Bioorg Med Chem Lett 15: 3540-6 (2005) Article DOI: 10.1016/j.bmcl.2005.05.062 BindingDB Entry DOI: 10.7270/Q2FQ9W59
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair