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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50093986   
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 receptor type B


(RAT)
BDBM50093986
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1
Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.60n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin B receptor in rat cerebellum


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)
BDBM50093986
PNG
(2-(2-Carboxymethoxy-benzyl)-4-(6-chloro-benzo[1,3]...)
Show SMILES OC(=O)COc1ccccc1Cn1nc(c(Cc2cc3OCOc3cc2Cl)c1C(O)=O)-c1cccs1
Show InChI InChI=1S/C25H19ClN2O7S/c26-17-10-20-19(34-13-35-20)9-15(17)8-16-23(21-6-3-7-36-21)27-28(24(16)25(31)32)11-14-4-1-2-5-18(14)33-12-22(29)30/h1-7,9-10H,8,11-13H2,(H,29,30)(H,31,32)
PDB

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UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 28n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro binding affinity to endothelin A receptor in rat heart ventricles


Bioorg Med Chem Lett 10: 2575-8 (2001)


BindingDB Entry DOI: 10.7270/Q22R3QW9
More data for this
Ligand-Target Pair