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 = 'BDBM50106409'   
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)		BDBM50106409
PNG
(4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)C(F)(F)F)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H35F3N2O5/c1-3-5-13-33(14-6-4-2)25(35)17-34-16-22(20-9-12-23-24(15-20)39-18-38-23)26(28(36)37)27(34)19-7-10-21(11-8-19)29(30,31)32/h7-12,15,22,26-27H,3-6,13-14,16-18H2,1-2H3,(H,36,37)/t22-,26-,27+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.28n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against endothelin A receptor in MMQ cells in rat

J Med Chem 44: 3978-84 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9PR2
More data for this
Ligand-Target Pair