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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 = 'BDBM50068688'   
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


(RAT)		BDBM50068688
PNG
(CHEMBL357823 | [2'-(3,4-Dimethyl-isoxazol-5-ylsulf...)
Show SMILES CC(C)Cc1ccc(c(NCC(O)=O)c1)-c1ccccc1S(=O)(=O)Nc1onc(C)c1C
Show InChI InChI=1S/C23H27N3O5S/c1-14(2)11-17-9-10-18(20(12-17)24-13-22(27)28)19-7-5-6-8-21(19)32(29,30)26-23-15(3)16(4)25-31-23/h5-10,12,14,24,26H,11,13H2,1-4H3,(H,27,28)
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Similars
Article
PubMed
 89n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to inhibit binding of [125I]ET1 to membranes prepared from A10 rat thoracic aorta smooth muscle Endothelin A receptor

J Med Chem 41: 5198-218 (1999)


Article DOI: 10.1021/jm970872k
BindingDB Entry DOI: 10.7270/Q2J9672R
More data for this
Ligand-Target Pair