BDBM50109171 CHEMBL122591::[(S)-1-((S)-1-Methyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester

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

InChI Key: InChIKey=IJJYXVOSNQSZOF-YJBOKZPZSA-N

Data: 2 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 2 hits for monomerid = 50109171   

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
Procathepsin L (Homo sapiens (Human))	BDBM50109171 (CHEMBL122591 | [(S)-1-((S)-1-Methyl-2-oxo-ethylcar...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4/c1-15(13-23)21-19(24)18(12-16-8-4-2-5-9-16)22-20(25)26-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,21,24)(H,22,25)/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	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of Cathepsin L from human kidney				Bioorg Med Chem Lett 12: 375-8 (2002) BindingDB Entry DOI: 10.7270/Q2J965P0
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50109171 (CHEMBL122591 | [(S)-1-((S)-1-Methyl-2-oxo-ethylcar...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C=O Show InChI InChI=1S/C20H22N2O4/c1-15(13-23)21-19(24)18(12-16-8-4-2-5-9-16)22-20(25)26-14-17-10-6-3-7-11-17/h2-11,13,15,18H,12,14H2,1H3,(H,21,24)(H,22,25)/t15-,18-/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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organon K.K. Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 375-8 (2002) BindingDB Entry DOI: 10.7270/Q2J965P0
					More data for this Ligand-Target Pair