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PubMed code 10890162

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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)		BDBM50089716
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089721
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H22N2O5/c1-31-20-9-5-6-18(12-20)15-28-25(26(29)30)21(24(27-28)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)33-16-32-22/h2-12,14H,13,15-16H2,1H3,(H,29,30)
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n/an/a 28n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089716
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2nc(c(Cc3cc4OCOc4cc3Cl)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H21ClN2O5/c1-32-19-9-5-6-16(10-19)14-29-25(26(30)31)20(24(28-29)17-7-3-2-4-8-17)11-18-12-22-23(13-21(18)27)34-15-33-22/h2-10,12-13H,11,14-15H2,1H3,(H,30,31)
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n/an/a 34n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089721
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2C(O)=O)-c2ccccc2)c1
Show InChI InChI=1S/C26H22N2O5/c1-31-20-9-5-6-18(12-20)15-28-25(26(29)30)21(24(27-28)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)33-16-32-22/h2-12,14H,13,15-16H2,1H3,(H,29,30)
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n/an/a 40n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089715
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F5N2O4/c1-30-14-4-2-3-13(7-14)10-28-19(29)15(18(27-28)20(22,23)21(24,25)26)8-12-5-6-16-17(9-12)32-11-31-16/h2-7,9,27H,8,10-11H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089736
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-5-heptafluoropropyl-...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F7N2O4/c1-33-14-4-2-3-13(7-14)10-31-19(32)15(8-12-5-6-16-17(9-12)35-11-34-16)18(30-31)20(23,24)21(25,26)22(27,28)29/h2-7,9,30H,8,10-11H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089733
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C25H22N2O4/c1-29-20-9-5-6-18(12-20)15-27-25(28)21(24(26-27)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)31-16-30-22/h2-12,14,26H,13,15-16H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089720
PNG
(CHEMBL281677 | [4-Benzo[1,3]dioxol-5-ylmethyl-2-(3...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2OCC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O6/c1-30-15-4-2-3-14(7-15)10-27-21(31-11-19(28)29)16(20(26-27)22(23,24)25)8-13-5-6-17-18(9-13)33-12-32-17/h2-7,9H,8,10-12H2,1H3,(H,28,29)
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089710
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3cc4OCOc4cc3Cl)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H16ClF3N2O4/c1-28-13-4-2-3-11(5-13)9-26-19(27)14(18(25-26)20(22,23)24)6-12-7-16-17(8-15(12)21)30-10-29-16/h2-5,7-8,25H,6,9-10H2,1H3
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089736
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-5-heptafluoropropyl-...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C22H17F7N2O4/c1-33-14-4-2-3-13(7-14)10-31-19(32)15(8-12-5-6-16-17(9-12)35-11-34-16)18(30-31)20(23,24)21(25,26)22(27,28)29/h2-7,9,30H,8,10-11H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089729
PNG
(4-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3cc4OCOc4c(Cl)c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H16ClF3N2O4/c1-28-13-4-2-3-11(5-13)9-26-19(27)14(18(25-26)20(22,23)24)6-12-7-15(21)17-16(8-12)29-10-30-17/h2-5,7-8,25H,6,9-10H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089711
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-4-2-3-13(7-14)10-25-19(26)15(18(24-25)20(21,22)23)8-12-5-6-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089726
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-hydroxy-benzyl)...)
Show SMILES Oc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)17-14(7-11-4-5-15-16(8-11)28-10-27-15)18(26)24(23-17)9-12-2-1-3-13(25)6-12/h1-6,8,23,25H,7,9-10H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089723
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(2-methoxy-benzyl)...)
Show SMILES COc1ccccc1Cn1[nH]c(c(Cc2ccc3OCOc3c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4/c1-27-15-5-3-2-4-13(15)10-25-19(26)14(18(24-25)20(21,22)23)8-12-6-7-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089709
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-chloro-benzyl)-...)
Show SMILES FC(F)(F)c1[nH]n(Cc2cccc(Cl)c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H14ClF3N2O3/c20-13-3-1-2-12(6-13)9-25-18(26)14(17(24-25)19(21,22)23)7-11-4-5-15-16(8-11)28-10-27-15/h1-6,8,24H,7,9-10H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089719
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-5-2-12(3-6-14)10-25-19(26)15(18(24-25)20(21,22)23)8-13-4-7-16-17(9-13)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089720
PNG
(CHEMBL281677 | [4-Benzo[1,3]dioxol-5-ylmethyl-2-(3...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2OCC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C22H19F3N2O6/c1-30-15-4-2-3-14(7-15)10-27-21(31-11-19(28)29)16(20(26-27)22(23,24)25)8-13-5-6-17-18(9-13)33-12-32-17/h2-7,9H,8,10-12H2,1H3,(H,28,29)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089710
PNG
(4-(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3cc4OCOc4cc3Cl)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H16ClF3N2O4/c1-28-13-4-2-3-11(5-13)9-26-19(27)14(18(25-26)20(22,23)24)6-12-7-16-17(8-15(12)21)30-10-29-16/h2-5,7-8,25H,6,9-10H2,1H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089714
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)-c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C25H21N3O6/c1-32-20-4-2-3-17(11-20)14-27-25(29)21(12-16-5-10-22-23(13-16)34-15-33-22)24(26-27)18-6-8-19(9-7-18)28(30)31/h2-11,13,26H,12,14-15H2,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089733
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)-c2ccccc2)c1
Show InChI InChI=1S/C25H22N2O4/c1-29-20-9-5-6-18(12-20)15-27-25(28)21(24(26-27)19-7-3-2-4-8-19)13-17-10-11-22-23(14-17)31-16-30-22/h2-12,14,26H,13,15-16H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089715
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F5N2O4/c1-30-14-4-2-3-13(7-14)10-28-19(29)15(18(27-28)20(22,23)21(24,25)26)8-12-5-6-16-17(9-12)32-11-31-16/h2-7,9,27H,8,10-11H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089725
PNG
(CHEMBL3144800 | [3-(4-Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES OC(=O)COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N2O6/c22-21(23,24)19-15(7-12-4-5-16-17(8-12)32-11-31-16)20(29)26(25-19)9-13-2-1-3-14(6-13)30-10-18(27)28/h1-6,8,25H,7,9-11H2,(H,27,28)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089731
PNG
(CHEMBL3144733 | [2-(4-Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c(OCC(O)=O)c1
Show InChI InChI=1S/C22H19F3N2O7/c1-31-14-4-3-13(17(8-14)32-10-19(28)29)9-27-21(30)15(20(26-27)22(23,24)25)6-12-2-5-16-18(7-12)34-11-33-16/h2-5,7-8,26H,6,9-11H2,1H3,(H,28,29)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089724
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(2-chloro-benzyl)-...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccccc2Cl)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H14ClF3N2O3/c20-14-4-2-1-3-12(14)9-25-18(26)13(17(24-25)19(21,22)23)7-11-5-6-15-16(8-11)28-10-27-15/h1-6,8,24H,7,9-10H2
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089713
PNG
(4-(4-Chloro-benzyl)-2-(3-methoxy-benzyl)-5-trifluo...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H16ClF3N2O2/c1-27-15-4-2-3-13(9-15)11-25-18(26)16(17(24-25)19(21,22)23)10-12-5-7-14(20)8-6-12/h2-9,24H,10-11H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089729
PNG
(4-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-meth...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3cc4OCOc4c(Cl)c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H16ClF3N2O4/c1-28-13-4-2-3-11(5-13)9-26-19(27)14(18(25-26)20(22,23)24)6-12-7-15(21)17-16(8-12)29-10-30-17/h2-5,7-8,25H,6,9-10H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089727
PNG
(2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089722
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-5-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cc2[nH]n(Cc3cccc(OC)c3)c(=O)c2Cc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C27H26N2O5/c1-31-21-9-6-18(7-10-21)14-24-23(13-19-8-11-25-26(15-19)34-17-33-25)27(30)29(28-24)16-20-4-3-5-22(12-20)32-2/h3-12,15,28H,13-14,16-17H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089717
PNG
(4-(3,4-Dichloro-benzyl)-2-(3-methoxy-benzyl)-5-tri...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc(Cl)c(Cl)c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H15Cl2F3N2O2/c1-28-13-4-2-3-12(7-13)10-26-18(27)14(17(25-26)19(22,23)24)8-11-5-6-15(20)16(21)9-11/h2-7,9,25H,8,10H2,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089719
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-5-2-12(3-6-14)10-25-19(26)15(18(24-25)20(21,22)23)8-13-4-7-16-17(9-13)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089717
PNG
(4-(3,4-Dichloro-benzyl)-2-(3-methoxy-benzyl)-5-tri...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc(Cl)c(Cl)c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H15Cl2F3N2O2/c1-28-13-4-2-3-12(7-13)10-26-18(27)14(17(25-26)19(22,23)24)8-11-5-6-15(20)16(21)9-11/h2-7,9,25H,8,10H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089712
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-benzyl-5-trifluoro...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccccc2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)17-14(8-13-6-7-15-16(9-13)27-11-26-15)18(25)24(23-17)10-12-4-2-1-3-5-12/h1-7,9,23H,8,10-11H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089711
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N2O4/c1-27-14-4-2-3-13(7-14)10-25-19(26)15(18(24-25)20(21,22)23)8-12-5-6-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089731
PNG
(CHEMBL3144733 | [2-(4-Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES COc1ccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c(OCC(O)=O)c1
Show InChI InChI=1S/C22H19F3N2O7/c1-31-14-4-3-13(17(8-14)32-10-19(28)29)9-27-21(30)15(20(26-27)22(23,24)25)6-12-2-5-16-18(7-12)34-11-33-16/h2-5,7-8,26H,6,9-11H2,1H3,(H,28,29)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089709
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-chloro-benzyl)-...)
Show SMILES FC(F)(F)c1[nH]n(Cc2cccc(Cl)c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H14ClF3N2O3/c20-13-3-1-2-12(6-13)9-25-18(26)14(17(24-25)19(21,22)23)7-11-4-5-15-16(8-11)28-10-27-15/h1-6,8,24H,7,9-10H2
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Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089714
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)-c2ccc(cc2)[N+]([O-])=O)c1
Show InChI InChI=1S/C25H21N3O6/c1-32-20-4-2-3-17(11-20)14-27-25(29)21(12-16-5-10-22-23(13-16)34-15-33-22)24(26-27)18-6-8-19(9-7-18)28(30)31/h2-11,13,26H,12,14-15H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089727
PNG
(2,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-trifluoromet...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccc3OCOc3c2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H15F3N2O5/c21-20(22,23)18-13(5-11-1-3-14-16(6-11)29-9-27-14)19(26)25(24-18)8-12-2-4-15-17(7-12)30-10-28-15/h1-4,6-7,24H,5,8-10H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089734
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)...)
Show SMILES COc1cccc(Cn2[nH]c(C)c(Cc3ccc4OCOc4c3)c2=O)c1
Show InChI InChI=1S/C20H20N2O4/c1-13-17(9-14-6-7-18-19(10-14)26-12-25-18)20(23)22(21-13)11-15-4-3-5-16(8-15)24-2/h3-8,10,21H,9,11-12H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089713
PNG
(4-(4-Chloro-benzyl)-2-(3-methoxy-benzyl)-5-trifluo...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc(Cl)cc3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H16ClF3N2O2/c1-27-15-4-2-3-13(9-15)11-25-18(26)16(17(24-25)19(21,22)23)10-12-5-7-14(20)8-6-12/h2-9,24H,10-11H2,1H3
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n/an/a 2.20E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089712
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-benzyl-5-trifluoro...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccccc2)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)17-14(8-13-6-7-15-16(9-13)27-11-26-15)18(25)24(23-17)10-12-4-2-1-3-5-12/h1-7,9,23H,8,10-11H2
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n/an/a 2.40E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089722
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-5-(4-methoxy-benzyl)...)
Show SMILES COc1ccc(Cc2[nH]n(Cc3cccc(OC)c3)c(=O)c2Cc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C27H26N2O5/c1-31-21-9-6-18(7-10-21)14-24-23(13-19-8-11-25-26(15-19)34-17-33-25)27(30)29(28-24)16-20-4-3-5-22(12-20)32-2/h3-12,15,28H,13-14,16-17H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089724
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(2-chloro-benzyl)-...)
Show SMILES FC(F)(F)c1[nH]n(Cc2ccccc2Cl)c(=O)c1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C19H14ClF3N2O3/c20-14-4-2-1-3-12(14)9-25-18(26)13(17(24-25)19(21,22)23)7-11-5-6-15-16(8-11)28-10-27-15/h1-6,8,24H,7,9-10H2
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089718
PNG
(2-[4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benz...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2OCCO)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N2O5/c1-29-16-4-2-3-15(9-16)12-27-21(30-8-7-28)17(20(26-27)22(23,24)25)10-14-5-6-18-19(11-14)32-13-31-18/h2-6,9,11,28H,7-8,10,12-13H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089725
PNG
(CHEMBL3144800 | [3-(4-Benzo[1,3]dioxol-5-ylmethyl-...)
Show SMILES OC(=O)COc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C21H17F3N2O6/c22-21(23,24)19-15(7-12-4-5-16-17(8-12)32-11-31-16)20(29)26(25-19)9-13-2-1-3-14(6-13)30-10-18(27)28/h1-6,8,25H,7,9-11H2,(H,27,28)
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n/an/a 2.90E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089723
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(2-methoxy-benzyl)...)
Show SMILES COc1ccccc1Cn1[nH]c(c(Cc2ccc3OCOc3c2)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O4/c1-27-15-5-3-2-4-13(15)10-25-19(26)14(18(24-25)20(21,22)23)8-12-6-7-16-17(9-12)29-11-28-16/h2-7,9,24H,8,10-11H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089726
PNG
(4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-hydroxy-benzyl)...)
Show SMILES Oc1cccc(Cn2[nH]c(c(Cc3ccc4OCOc4c3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H15F3N2O4/c20-19(21,22)17-14(7-11-4-5-15-16(8-11)28-10-27-15)18(26)24(23-17)9-12-2-1-3-13(25)6-12/h1-6,8,23,25H,7,9-10H2
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n/an/a 3.60E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin receptor type B


(RAT)		BDBM50089735
PNG
(2-(3-Methoxy-benzyl)-4-(4-methoxy-benzyl)-5-triflu...)
Show SMILES COc1ccc(Cc2c([nH]n(Cc3cccc(OC)c3)c2=O)C(F)(F)F)cc1
Show InChI InChI=1S/C20H19F3N2O3/c1-27-15-8-6-13(7-9-15)11-17-18(20(21,22)23)24-25(19(17)26)12-14-4-3-5-16(10-14)28-2/h3-10,24H,11-12H2,1-2H3
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n/an/a 3.90E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of [125-I] labelled ET-1 endothelin binding to Endothelin B receptor in rat cerebellum

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089728
PNG
(4-(4-Fluoro-benzyl)-2-(3-methoxy-benzyl)-5-trifluo...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccc(F)cc3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H16F4N2O2/c1-27-15-4-2-3-13(9-15)11-25-18(26)16(17(24-25)19(21,22)23)10-12-5-7-14(20)8-6-12/h2-9,24H,10-11H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089718
PNG
(2-[4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benz...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2OCCO)C(F)(F)F)c1
Show InChI InChI=1S/C22H21F3N2O5/c1-29-16-4-2-3-15(9-16)12-27-21(30-8-7-28)17(20(26-27)22(23,24)25)10-14-5-6-18-19(11-14)32-13-31-18/h2-6,9,11,28H,7-8,10,12-13H2,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089735
PNG
(2-(3-Methoxy-benzyl)-4-(4-methoxy-benzyl)-5-triflu...)
Show SMILES COc1ccc(Cc2c([nH]n(Cc3cccc(OC)c3)c2=O)C(F)(F)F)cc1
Show InChI InChI=1S/C20H19F3N2O3/c1-27-15-8-6-13(7-9-15)11-17-18(20(21,22)23)24-25(19(17)26)12-14-4-3-5-16(10-14)28-2/h3-10,24H,11-12H2,1-2H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089730
PNG
(4-[4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benz...)
Show SMILES COc1cccc(Cn2nc(c(Cc3ccc4OCOc4c3)c2OCCCC(O)=O)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N2O6/c1-32-17-5-2-4-16(10-17)13-29-23(33-9-3-6-21(30)31)18(22(28-29)24(25,26)27)11-15-7-8-19-20(12-15)35-14-34-19/h2,4-5,7-8,10,12H,3,6,9,11,13-14H2,1H3,(H,30,31)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(RAT)		BDBM50089732
PNG
(4-Benzyl-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H...)
Show SMILES COc1cccc(Cn2[nH]c(c(Cc3ccccc3)c2=O)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F3N2O2/c1-26-15-9-5-8-14(10-15)12-24-18(25)16(17(23-24)19(20,21)22)11-13-6-3-2-4-7-13/h2-10,23H,11-12H2,1H3
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n/an/a 9.80E+4n/an/an/an/an/an/a



Hoechst Marion Roussel

Curated by ChEMBL


Assay Description
In vitro inhibition of endothelin binding to endothelin A receptor in rat heart ventricles was measured using a 125-I labelled ET-1 competition assay

Bioorg Med Chem Lett 10: 1351-5 (2000)


BindingDB Entry DOI: 10.7270/Q2ZK5FW3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%