BDBM50169484 (R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutan-2-yl(S)-1,2-dioxo-1-(pyridin-3-ylmethylamino)heptan-3-ylcarbamate::CHEMBL189417::[(S)-1-(Pyridin-3-ylmethyl)-aminooxalyl]-pentyl)-carbamic acid (R)-1-[5-(4-fluoro-phenyl)-[1,3,4]oxadiazol-2-ylmethyl]-2,2-dimethyl-propyl ester

SMILES: CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1

InChI Key: InChIKey=MYHNQSMNCJFCQY-FCHUYYIVSA-N

Data: 6 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 6 hits for monomerid = 50169484   

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))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/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	2.70E+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
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/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	1.80E+4	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
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/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	2.82	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
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/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	1.30E+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
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/s1	PDB MMDB 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	1.40E+4	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
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50169484 ((R)-1-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)-3,...) Show SMILES CCCC[C@H](NC(=O)O[C@H](Cc1nnc(o1)-c1ccc(F)cc1)C(C)(C)C)C(=O)C(=O)NCc1cccnc1 Show InChI InChI=1S/C28H34FN5O5/c1-5-6-9-21(24(35)25(36)31-17-18-8-7-14-30-16-18)32-27(37)38-22(28(2,3)4)15-23-33-34-26(39-23)19-10-12-20(29)13-11-19/h7-8,10-14,16,21-22H,5-6,9,15,17H2,1-4H3,(H,31,36)(H,32,37)/t21-,22+/m0/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	2.80E+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 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
					More data for this Ligand-Target Pair