BDBM50304798 CHEMBL595637::benzyl(S)-1-((S)-1-cyanoethylamino)-1-oxo-3-phenylpropan-2-ylcarbamate

SMILES: C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N

InChI Key: InChIKey=JUWDJSMVABCRNF-YJBOKZPZSA-N

Data: 2 KI

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 2 hits for monomerid = 50304798   

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 B (Homo sapiens (Human))	BDBM50304798 (CHEMBL595637 | benzyl(S)-1-((S)-1-cyanoethylamino)...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C20H21N3O3/c1-15(13-21)22-19(24)18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12,14H2,1H3,(H,22,24)(H,23,25)/t15-,18-/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	>330	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM
					More data for this Ligand-Target Pair
Papain (Carica papaya)	BDBM50304798 (CHEMBL595637 | benzyl(S)-1-((S)-1-cyanoethylamino)...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C#N |r| Show InChI InChI=1S/C20H21N3O3/c1-15(13-21)22-19(24)18(12-16-8-4-2-5-9-16)23-20(25)26-14-17-10-6-3-7-11-17/h2-11,15,18H,12,14H2,1H3,(H,22,24)(H,23,25)/t15-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry				Bioorg Med Chem Lett 20: 252-5 (2010) Article DOI: 10.1016/j.bmcl.2009.10.122 BindingDB Entry DOI: 10.7270/Q24X57WM
					More data for this Ligand-Target Pair