BDBM50403120 CHEMBL2115561

SMILES: C[C@@H](OC(=O)NCc1ccccc1)[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O

InChI Key: InChIKey=VYHORQGFCCUBFM-MOFCZTIZSA-N

Data: 1 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 1 hit for monomerid = 50403120   

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))	BDBM50403120 (CHEMBL2115561) Show SMILES C[C@@H](OC(=O)NCc1ccccc1)[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C25H28N2O7S/c1-16(34-24(30)26-14-17-10-6-4-7-11-17)19-21(28)27-20(25(2,3)35(31,32)22(19)27)23(29)33-15-18-12-8-5-9-13-18/h4-13,16,19-20,22H,14-15H2,1-3H3,(H,26,30)/t16-,19+,20+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...				Bioorg Med Chem Lett 3: 2283-2288 (1993) Article DOI: 10.1016/S0960-894X(01)80940-9 BindingDB Entry DOI: 10.7270/Q2S46RW5
					More data for this Ligand-Target Pair