Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.4 BDBM50021164

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50021164 (1-[4-Carboxy-4-(toluene-4-sulfonylamino)-butyryl]-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)C(O)=O Show InChI InChI=1S/C21H22N2O7S/c1-13-6-8-15(9-7-13)31(29,30)22-16(20(25)26)10-11-19(24)23-17-5-3-2-4-14(17)12-18(23)21(27)28/h2-9,16,18,22H,10-12H2,1H3,(H,25,26)(H,27,28)/t16-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of angiotensin I converting enzyme from rabbit lung				J Med Chem 28: 1606-11 (1985) BindingDB Entry DOI: 10.7270/Q2TT4RHP
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