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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'EDNRB' and Ligand = 'BDBM50122711'   
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))
BDBM50122711
PNG
(4'-Oxazol-2-yl-2'-(pyrimidin-4-ylaminomethyl)-biph...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2CNc2ccncn2)-c2ncco2)c1C
Show InChI InChI=1S/C25H22N6O4S/c1-16-17(2)30-35-24(16)31-36(32,33)22-6-4-3-5-21(22)20-8-7-18(25-27-11-12-34-25)13-19(20)14-28-23-9-10-26-15-29-23/h3-13,15,31H,14H2,1-2H3,(H,26,28,29)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Patents

Article
PubMed
980n/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