BDBM50121911 Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-3-phenyl-propionylamino)-4-oxo-azetidin-2-yl ester::CHEMBL285585

SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1

InChI Key: InChIKey=HFXHAUDVMVAJNA-FBLLAGFSSA-N

Data: 5 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 5 hits for monomerid = 50121911   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase(HLE)				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin B (Rattus norvegicus)	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Cathepsin B				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin K				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human cathepsin S				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50121911 (Benzoic acid (2S,3S)-3-((S)-2-benzyloxycarbonylami...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H](NC1=O)OC(=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C27H25N3O6/c31-23(29-22-24(32)30-25(22)36-26(33)20-14-8-3-9-15-20)21(16-18-10-4-1-5-11-18)28-27(34)35-17-19-12-6-2-7-13-19/h1-15,21-22,25H,16-17H2,(H,28,34)(H,29,31)(H,30,32)/t21-,22+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human Cathepsin L				Bioorg Med Chem Lett 13: 139-41 (2002) BindingDB Entry DOI: 10.7270/Q27W6BJB
					More data for this Ligand-Target Pair