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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50093978   
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


(RAT)
BDBM50093978
PNG
(2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)|
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-2-1-7-34-20)26-27(22(16)24(30)31)11-13-3-5-14(6-4-13)23(28)29/h1-2,7,9-10,13-14H,3-6,8,11-12H2,(H,28,29)(H,30,31)
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PC cid
PC sid
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Similars

PubMed
n/an/a 0.810n/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
Endothelin receptor type B


(RAT)
BDBM50093978
PNG
(2-(4-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1...)
Show SMILES OC(=O)C1CCC(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2cccs2)CC1 |(3.14,-11.22,;4.56,-11.81,;4.77,-13.34,;5.78,-10.87,;7.2,-11.46,;8.43,-10.52,;8.23,-8.98,;9.53,-8.16,;9.46,-6.62,;8.16,-5.78,;8.57,-4.28,;10.12,-4.21,;10.96,-2.92,;12.48,-2.92,;13.25,-4.24,;14.81,-4.24,;15.84,-5.36,;17.23,-4.73,;17.06,-3.21,;15.56,-2.9,;14.77,-1.57,;13.25,-1.59,;12.46,-.26,;10.66,-5.65,;12.15,-6.06,;12.55,-7.55,;13.25,-4.98,;7.67,-3.04,;8.15,-1.57,;6.9,-.65,;5.66,-1.57,;6.13,-3.04,;6.81,-8.41,;5.58,-9.35,)|
Show InChI InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-2-1-7-34-20)26-27(22(16)24(30)31)11-13-3-5-14(6-4-13)23(28)29/h1-2,7,9-10,13-14H,3-6,8,11-12H2,(H,28,29)(H,30,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 825n/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