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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 = 'BDBM50368802'   
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))
BDBM50368802
PNG
(CHEMBL1791097)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H55N3O7/c1-5-24(4)34(40-36(46)30(21-25-11-7-6-8-12-25)38-32(42)17-18-33(43)44)37(47)39-29(35(45)31(41)19-23(2)3)22-26-15-16-27-13-9-10-14-28(27)20-26/h9-10,13-16,20,23-25,29-31,34-35,41,45H,5-8,11-12,17-19,21-22H2,1-4H3,(H,38,42)(H,39,47)(H,40,46)(H,43,44)/t24-,29+,30+,31+,34+,35-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.10n/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