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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50071438'   
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))
BDBM50071438
PNG
((S)-2-[(R)-2-[(3,5-Dimethyl-benzoyl)-methyl-amino]...)
Show SMILES CN([C@H](Cc1ccc(cc1)-c1ccno1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C33H32N4O5/c1-20-14-21(2)16-24(15-20)32(39)37(3)29(17-22-8-10-23(11-9-22)30-12-13-35-42-30)31(38)36-28(33(40)41)18-25-19-34-27-7-5-4-6-26(25)27/h4-16,19,28-29,34H,17-18H2,1-3H3,(H,36,38)(H,40,41)/t28-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.210n/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