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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 = 'BDBM50368799'   
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))
BDBM50368799
PNG
(CHEMBL1791102)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C38H59N3O6/c1-8-25(4)33(41-35(44)31(22-26-15-10-9-11-16-26)40-37(46)47-38(5,6)7)36(45)39-30(34(43)32(42)21-24(2)3)23-28-19-14-18-27-17-12-13-20-29(27)28/h12-14,17-20,24-26,30-34,42-43H,8-11,15-16,21-23H2,1-7H3,(H,39,45)(H,40,46)(H,41,44)/t25-,30+,31+,32+,33+,34-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 23n/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