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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50108202   
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
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50108202
PNG
((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...)
Show SMILES COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

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Similars

PubMed
n/an/a 0.800n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Displacement of [125I]-labeled ET-1 from human cloned endothelin A (ETA) receptor


Bioorg Med Chem Lett 12: 125-8 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KG6
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))
BDBM50108202
PNG
((S)-2-(4,6-Dimethoxy-pyrimidin-2-yloxy)-3-methoxy-...)
Show SMILES COc1cc(OC)nc(O[C@H](C(O)=O)C(OC)(c2ccccc2)c2ccccc2)n1
Show InChI InChI=1S/C22H22N2O6/c1-27-17-14-18(28-2)24-21(23-17)30-19(20(25)26)22(29-3,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned endothelin B receptor by [125I]-ET-1 displacement.


Bioorg Med Chem Lett 12: 125-8 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KG6
More data for this
Ligand-Target Pair