BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50093991'   
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)		BDBM50093991
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3,4-di...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1Cc1ccc(Cl)c(Cl)c1)-c1ccccc1
Show InChI InChI=1S/C25H17Cl3N2O4/c26-18-7-6-14(8-20(18)28)12-30-24(25(31)32)17(23(29-30)15-4-2-1-3-5-15)9-16-10-21-22(11-19(16)27)34-13-33-21/h1-8,10-11H,9,12-13H2,(H,31,32)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 34n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles

Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair