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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 = 'BDBM50368798'   
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))		BDBM50368798
PNG
(CHEMBL1791120)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCC(C)C
Show InChI InChI=1S/C30H58N4O6/c1-12-20(7)25(33-28(38)26(21(8)13-2)34-29(39)40-30(9,10)11)27(37)32-22(16-19(5)6)23(35)17-24(36)31-15-14-18(3)4/h18-23,25-26,35H,12-17H2,1-11H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t20-,21-,22+,23?,25+,26+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 11n/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