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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 = 'BDBM50284699'   
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


(Sus scrofa)		BDBM50284699
PNG
(2-{3-(1H-Indol-3-yl)-2-[4-methyl-2-(3-methyl-butyr...)
Show SMILES CC(C)C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(O)=O)C(O)=O
Show InChI InChI=1S/C26H36N4O7/c1-14(2)9-19(28-22(31)10-15(3)4)24(34)29-20(25(35)30-21(26(36)37)12-23(32)33)11-16-13-27-18-8-6-5-7-17(16)18/h5-8,13-15,19-21,27H,9-12H2,1-4H3,(H,28,31)(H,29,34)(H,30,35)(H,32,33)(H,36,37)/t19-,20+,21+/m0/s1
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Similars
Article
n/an/a 2.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against ETA receptor in porcine aortic smooth muscle membrane was determined

Bioorg Med Chem Lett 5: 1395-1400 (1995)


Article DOI: 10.1016/0960-894X(95)00221-E
BindingDB Entry DOI: 10.7270/Q2GB240T
More data for this
Ligand-Target Pair