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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50071440'   
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
EDNRB


(Homo sapiens (Human))
BDBM50071440
PNG
(CHEMBL307384 | N-[(R)-1-[2-(Butane-1-sulfonylamino...)
Show SMILES CCCCS(=O)(=O)NC(=O)C(Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C39H42N4O6S/c1-5-6-19-50(47,48)42-37(44)34(24-29-13-14-30-9-7-8-10-32(30)23-29)41-38(45)35(43(4)39(46)33-21-26(2)20-27(3)22-33)25-28-11-15-31(16-12-28)36-17-18-40-49-36/h7-18,20-23,34-35H,5-6,19,24-25H2,1-4H3,(H,41,45)(H,42,44)/t34?,35-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.590n/an/an/an/an/an/an/an/a



Takarazuka Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to Endothelin B receptor


Bioorg Med Chem Lett 8: 2241-6 (1999)


BindingDB Entry DOI: 10.7270/Q2BC3XQ7
More data for this
Ligand-Target Pair