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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50286796'   
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-1 receptor


(Homo sapiens (Human))		BDBM50286796
PNG
(5-[(R)-2-{(S)-2-[(Azepane-1-carbonyl)-amino]-4-met...)
Show SMILES CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C30H45N5O5/c1-21(2)18-24(33-30(40)35-16-10-4-5-11-17-35)29(39)32-25(28(38)31-15-9-8-14-27(36)37)19-22-20-34(3)26-13-7-6-12-23(22)26/h6-7,12-13,20-21,24-25H,4-5,8-11,14-19H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)(H,36,37)/t24-,25+/m0/s1
PDB

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Similars
Article
n/an/a>3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against ETA receptor from dog spleen membranes using [125I]-ET1 as radioligand.

Bioorg Med Chem Lett 5: 917-922 (1995)


Article DOI: 10.1016/0960-894X(95)00144-I
BindingDB Entry DOI: 10.7270/Q28S4PWG
More data for this
Ligand-Target Pair