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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-converting enzyme 1' and Ligand = 'BDBM50407085'   
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


(Rattus norvegicus (Rat))
BDBM50407085
PNG
(CHEMBL2112259)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)CC(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C38H59N5O8/c1-8-23(4)33(43-34(46)29(18-24-14-10-9-11-15-24)41-37(50)51-38(5,6)7)35(47)40-28(19-25-21-39-27-17-13-12-16-26(25)27)30(44)20-31(45)42-32(22(2)3)36(48)49/h12-13,16-17,21-24,28-30,32-33,39,44H,8-11,14-15,18-20H2,1-7H3,(H,40,47)(H,41,50)(H,42,45)(H,43,46)(H,48,49)/t23-,28-,29-,30?,32-,33-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 24n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of conversion of big endothelial-1 (Big ET-1) to ET-1 by endothelin converting enzyme(ECE) in rat lung membrane.


J Med Chem 36: 468-78 (1993)


BindingDB Entry DOI: 10.7270/Q2PC331F
More data for this
Ligand-Target Pair