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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1 (ECE1)' and Ligand = 'BDBM50303331'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50303331
PNG
((2S)-2-{[3-(4',5'-Dihydro-3'-[4''-trifluoromethyl]...)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(CC1CC(=NO1)c1ccc(cc1)C(F)(F)F)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C41H40F3N4O8P/c42-41(43,44)31-17-15-28(16-18-31)35-22-32(56-48-35)20-30(38(49)46-36(39(50)51)21-29-23-45-34-14-8-7-13-33(29)34)25-57(53,54)37(19-26-9-3-1-4-10-26)47-40(52)55-24-27-11-5-2-6-12-27/h1-18,23,30,32,36-37,45H,19-22,24-25H2,(H,46,49)(H,47,52)(H,50,51)(H,53,54)/t30?,32?,36-,37+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair