BDBM50121044 CHEMBL116041::[(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]hept-6-ylcarbamoyl)-ethyl]-carbamic acid benzyl ester

SMILES: Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1

InChI Key: InChIKey=FNEUKBQFZSGMQF-UEXGIBASSA-N

Data: 4 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 4 hits for monomerid = 50121044   

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))	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin K cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibitory activity of Cbz-Phe-Arg-AMC against Cathepsin B cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair
Cathepsin L (Rattus norvegicus)	BDBM50121044 (CHEMBL116041 | [(S)-2-(3-Fluoro-phenyl)-1-((5S,6R)...) Show SMILES Fc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N[C@H]2[C@H]3N(CCS3(=O)=O)C2=O)c1 Show InChI InChI=1S/C22H22FN3O6S/c23-16-8-4-7-15(11-16)12-17(24-22(29)32-13-14-5-2-1-3-6-14)19(27)25-18-20(28)26-9-10-33(30,31)21(18)26/h1-8,11,17-18,21H,9-10,12-13H2,(H,24,29)(H,25,27)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of Cbz-Phe-Arg-AMC binding to Cathepsin L cysteine protease				Bioorg Med Chem Lett 12: 3417-9 (2002) BindingDB Entry DOI: 10.7270/Q280520T
					More data for this Ligand-Target Pair