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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50071432'   
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))
BDBM50071432
PNG
((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)
Show SMILES CN([C@H](Cc1ccc(cc1)-c1cccs1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C34H33N3O4S/c1-21-15-22(2)17-25(16-21)33(39)37(3)30(18-23-10-12-24(13-11-23)31-9-6-14-42-31)32(38)36-29(34(40)41)19-26-20-35-28-8-5-4-7-27(26)28/h4-17,20,29-30,35H,18-19H2,1-3H3,(H,36,38)(H,40,41)/t29-,30+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.600n/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