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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50107561   
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


(Sus scrofa)
BDBM50107561
PNG
(CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)
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PubMed
n/an/a 0.00530n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin A receptor in porcine aortic membrane.


Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)
BDBM50107561
PNG
(CHEMBL168441 | N-[6-[2-(5-Bromo-pyrimidin-2-yloxy)...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(NCCO)nc1OCCOc1ncc(Br)cn1
Show InChI InChI=1S/C29H33BrN6O7S/c1-29(2,3)19-9-11-21(12-10-19)44(38,39)36-25-24(43-23-8-6-5-7-22(23)40-4)26(35-27(34-25)31-13-14-37)41-15-16-42-28-32-17-20(30)18-33-28/h5-12,17-18,37H,13-16H2,1-4H3,(H2,31,34,35,36)
PDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a>1n/an/an/an/an/an/a



Tanabe Seiyaku Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125 I]ET-1 binding to Endothelin B receptor (ETB-receptor) in rat cerebellum membranes


Bioorg Med Chem Lett 12: 81-4 (2001)


BindingDB Entry DOI: 10.7270/Q2VX0FSC
More data for this
Ligand-Target Pair