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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 = 'BDBM50046842'   
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))
BDBM50046842
PNG
(3-{4-[2-(2-tert-Butoxycarbonylamino-3-methyl-penta...)
Show SMILES CCOC(=O)CCNC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)CC)C(C)CC
Show InChI InChI=1S/C30H56N4O8/c1-11-19(6)25(33-28(39)26(20(7)12-2)34-29(40)42-30(8,9)10)27(38)32-21(16-18(4)5)22(35)17-23(36)31-15-14-24(37)41-13-3/h18-22,25-26,35H,11-17H2,1-10H3,(H,31,36)(H,32,38)(H,33,39)(H,34,40)/t19?,20?,21-,22?,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 13n/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