Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1' and Ligand = 'BDBM50303329'   

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
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50303329 ((2S)-2-{[3-(3'-[1,1'-Biphenyl]-4''-yl-4',5'-dihydr...) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)-c1ccccc1)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r,c:23| Show InChI InChI=1S/C46H45N4O8P/c51-44(48-42(45(52)53)26-36-28-47-40-19-11-10-18-39(36)40)37(25-38-27-41(50-58-38)35-22-20-34(21-23-35)33-16-8-3-9-17-33)30-59(55,56)43(24-31-12-4-1-5-13-31)49-46(54)57-29-32-14-6-2-7-15-32/h1-23,28,37-38,42-43,47H,24-27,29-30H2,(H,48,51)(H,49,54)(H,52,53)(H,55,56)/t37?,38?,42-,43+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) Curated by ChEMBL					Assay Description Inhibition of human somatic ECE1				J Med Chem 53: 208-20 (2010) Article DOI: 10.1021/jm9010803 BindingDB Entry DOI: 10.7270/Q2736R06
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