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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50071439'   
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))
BDBM50071439
PNG
(CHEMBL73000 | N-[(R)-1-[(S)-1-(1H-Indol-3-ylmethyl...)
Show SMILES CC(C)S(=O)(=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(cc1)-c1ccno1)N(C)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C36H39N5O6S/c1-22(2)48(45,46)40-34(42)31(20-28-21-37-30-9-7-6-8-29(28)30)39-35(43)32(41(5)36(44)27-17-23(3)16-24(4)18-27)19-25-10-12-26(13-11-25)33-14-15-38-47-33/h6-18,21-22,31-32,37H,19-20H2,1-5H3,(H,39,43)(H,40,42)/t31-,32+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.380n/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