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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50122704'   
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))
BDBM50122704
PNG
(2'-{[Methyl-(2,2,2-trifluoro-ethyl)-amino]-methyl}...)
Show SMILES CN(Cc1cc(ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C)-c1ncco1)CC(F)(F)F
Show InChI InChI=1S/C24H23F3N4O4S/c1-15-16(2)29-35-22(15)30-36(32,33)21-7-5-4-6-20(21)19-9-8-17(23-28-10-11-34-23)12-18(19)13-31(3)14-24(25,26)27/h4-12,30H,13-14H2,1-3H3
PDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
1.90E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin B receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair