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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50093990'   
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 receptor type B


(RAT)
BDBM50093990
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-cyclohe...)
Show SMILES OC(=O)c1c(Cc2cc3OCOc3cc2Cl)c(nn1CC1CCCCC1)-c1cccnc1
Show InChI InChI=1S/C24H24ClN3O4/c25-19-11-21-20(31-14-32-21)10-17(19)9-18-22(16-7-4-8-26-12-16)27-28(23(18)24(29)30)13-15-5-2-1-3-6-15/h4,7-8,10-12,15H,1-3,5-6,9,13-14H2,(H,29,30)
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.30n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


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


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