BDBM50286324 2,6-Dichloro-benzoic acid 3,3,5-trioxo-3lambda*6*-thia-4-aza-tricyclo[5.2.1.0*2,6*]dec-2(6)-en-4-ylmethyl ester::CHEMBL326847

SMILES: Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(C3CCC2C3)S1(=O)=O

InChI Key: InChIKey=AAEYGVNCMBCJDC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50286324   

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))	BDBM50286324 (2,6-Dichloro-benzoic acid 3,3,5-trioxo-3lambda*6*-...) Show SMILES Clc1cccc(Cl)c1C(=O)OCN1C(=O)C2=C(C3CCC2C3)S1(=O)=O |t:16,TLB:22:16:21:19.18,THB:13:15:21:19.18| Show InChI InChI=1S/C16H13Cl2NO5S/c17-10-2-1-3-11(18)13(10)16(21)24-7-19-15(20)12-8-4-5-9(6-8)14(12)25(19,22)23/h1-3,8-9H,4-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ratio of Kreact to that of Kinact was determined on human leukocyte elastase(HLE)				Bioorg Med Chem Lett 5: 325-330 (1995) Article DOI: 10.1016/0960-894X(95)00029-S BindingDB Entry DOI: 10.7270/Q2XP74WV
					More data for this Ligand-Target Pair