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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 = 'BDBM50046856'   
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))		BDBM50046856
PNG
(CHEMBL143902 | [1-(1-{1-[1-Hydroxy-2-(5-hydroxy-pe...)
Show SMILES CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)NCCCCCO
Show InChI InChI=1S/C30H58N4O7/c1-10-20(5)25(33-28(39)26(21(6)11-2)34-29(40)41-30(7,8)9)27(38)32-22(17-19(3)4)23(36)18-24(37)31-15-13-12-14-16-35/h19-23,25-26,35-36H,10-18H2,1-9H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20?,21?,22-,23?,25-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 21n/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