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PubMed code 20932745

Compile data set for download or QSAR
Found 26 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


(Homo sapiens (Human))		BDBM50329839
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)
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n/an/a 0.110n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329851
PNG
(3-(3-carboxybenzyl)-1-((6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2ccccc12
Show InChI InChI=1S/C28H23NO7/c1-2-17-12-23-24(36-15-35-23)13-19(17)14-29-22-9-4-3-8-20(22)26(30)21(25(29)28(33)34)11-16-6-5-7-18(10-16)27(31)32/h3-10,12-13H,2,11,14-15H2,1H3,(H,31,32)(H,33,34)
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n/an/a 0.690n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329843
PNG
(6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...)
Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C32H31NO8/c1-3-5-11-39-23-9-10-26-24(16-23)30(34)25(13-19-7-6-8-21(12-19)31(35)36)29(32(37)38)33(26)17-22-15-28-27(40-18-41-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 1.44n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329844
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12
Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)
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n/an/a 6.30n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329838
PNG
(3-(3-Carboxybenzyl)-6-ethoxy-1-[(6-ethylbenzo[d][1...)
Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C30H27NO8/c1-3-18-12-25-26(39-16-38-25)13-20(18)15-31-24-9-8-21(37-4-2)14-22(24)28(32)23(27(31)30(35)36)11-17-6-5-7-19(10-17)29(33)34/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,33,34)(H,35,36)
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n/an/a 6.60n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329848
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCCCO)ccc12
Show InChI InChI=1S/C31H29NO9/c1-2-19-13-26-27(41-17-40-26)14-21(19)16-32-25-8-7-22(39-10-4-9-33)15-23(25)29(34)24(28(32)31(37)38)12-18-5-3-6-20(11-18)30(35)36/h3,5-8,11,13-15,33H,2,4,9-10,12,16-17H2,1H3,(H,35,36)(H,37,38)
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n/an/a 7.40n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329845
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCC(C)Oc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C32H31NO8/c1-4-18(3)41-23-9-10-26-24(15-23)30(34)25(12-19-7-6-8-21(11-19)31(35)36)29(32(37)38)33(26)16-22-14-28-27(39-17-40-28)13-20(22)5-2/h6-11,13-15,18H,4-5,12,16-17H2,1-3H3,(H,35,36)(H,37,38)
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n/an/a 9.90n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329840
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OC(C)C)ccc12
Show InChI InChI=1S/C31H29NO8/c1-4-19-12-26-27(39-16-38-26)13-21(19)15-32-25-9-8-22(40-17(2)3)14-23(25)29(33)24(28(32)31(36)37)11-18-6-5-7-20(10-18)30(34)35/h5-10,12-14,17H,4,11,15-16H2,1-3H3,(H,34,35)(H,36,37)
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n/an/a 13.5n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329842
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCOC)ccc12
Show InChI InChI=1S/C30H27NO9/c1-3-18-11-25-26(40-16-39-25)12-20(18)14-31-24-8-7-21(38-15-37-2)13-22(24)28(32)23(27(31)30(35)36)10-17-5-4-6-19(9-17)29(33)34/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,33,34)(H,35,36)
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n/an/a 24.4n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329850
PNG
((R)-3-Amino-4-[(S)-2-((R)-1-{(S)-1-[(R)-1-(1H-indo...)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C |r|
Show InChI InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23-,24-,26+/m0/s1
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n/an/a 24.8n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329841
PNG
(6-(Allyloxy)-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC=C)ccc12
Show InChI InChI=1S/C31H27NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,34,35)(H,36,37)
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n/an/a 38.1n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329837
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(O)ccc12
Show InChI InChI=1S/C28H23NO8/c1-2-16-10-23-24(37-14-36-23)11-18(16)13-29-22-7-6-19(30)12-20(22)26(31)21(25(29)28(34)35)9-15-4-3-5-17(8-15)27(32)33/h3-8,10-12,30H,2,9,13-14H2,1H3,(H,32,33)(H,34,35)
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n/an/a 38.9n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329846
PNG
(3-(3-Carboxybenzyl)-6-(cyclopropylmethoxy)-1-[(6-e...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC3CC3)ccc12
Show InChI InChI=1S/C32H29NO8/c1-2-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18-6-7-18)14-24(26)30(34)25(29(33)32(37)38)11-19-4-3-5-21(10-19)31(35)36/h3-5,8-10,12-14,18H,2,6-7,11,15-17H2,1H3,(H,35,36)(H,37,38)
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n/an/a 116n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329849
PNG
(3-(3-Carboxybenzyl)-6-(carboxymethoxy)-1-[(6-ethyl...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(O)=O)ccc12
Show InChI InChI=1S/C30H25NO10/c1-2-17-10-24-25(41-15-40-24)11-19(17)13-31-23-7-6-20(39-14-26(32)33)12-21(23)28(34)22(27(31)30(37)38)9-16-4-3-5-18(8-16)29(35)36/h3-8,10-12H,2,9,13-15H2,1H3,(H,32,33)(H,35,36)(H,37,38)
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n/an/a 285n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329843
PNG
(6-Butoxy-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[d][1...)
Show SMILES CCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C32H31NO8/c1-3-5-11-39-23-9-10-26-24(16-23)30(34)25(13-19-7-6-8-21(12-19)31(35)36)29(32(37)38)33(26)17-22-15-28-27(40-18-41-28)14-20(22)4-2/h6-10,12,14-16H,3-5,11,13,17-18H2,1-2H3,(H,35,36)(H,37,38)
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n/an/a 548n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329851
PNG
(3-(3-carboxybenzyl)-1-((6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2ccccc12
Show InChI InChI=1S/C28H23NO7/c1-2-17-12-23-24(36-15-35-23)13-19(17)14-29-22-9-4-3-8-20(22)26(30)21(25(29)28(33)34)11-16-6-5-7-18(10-16)27(31)32/h3-10,12-13H,2,11,14-15H2,1H3,(H,31,32)(H,33,34)
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n/an/a 571n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))		BDBM50329847
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCCCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C33H33NO8/c1-3-5-6-12-40-24-10-11-27-25(17-24)31(35)26(14-20-8-7-9-22(13-20)32(36)37)30(33(38)39)34(27)18-23-16-29-28(41-19-42-29)15-21(23)4-2/h7-11,13,15-17H,3-6,12,14,18-19H2,1-2H3,(H,36,37)(H,38,39)
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n/an/a 610n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from ETA receptor expressed in african green monkey CCL-81 cells monolayer

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329840
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OC(C)C)ccc12
Show InChI InChI=1S/C31H29NO8/c1-4-19-12-26-27(39-16-38-26)13-21(19)15-32-25-9-8-22(40-17(2)3)14-23(25)29(33)24(28(32)31(36)37)11-18-6-5-7-20(10-18)30(34)35/h5-10,12-14,17H,4,11,15-16H2,1-3H3,(H,34,35)(H,36,37)
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n/an/a 677n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329839
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C31H29NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h5-9,11,13-15H,3-4,10,12,16-17H2,1-2H3,(H,34,35)(H,36,37)
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n/an/a 913n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329842
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCOC)ccc12
Show InChI InChI=1S/C30H27NO9/c1-3-18-11-25-26(40-16-39-25)12-20(18)14-31-24-8-7-21(38-15-37-2)13-22(24)28(32)23(27(31)30(35)36)10-17-5-4-6-19(9-17)29(33)34/h4-9,11-13H,3,10,14-16H2,1-2H3,(H,33,34)(H,35,36)
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n/an/a 1.03E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329841
PNG
(6-(Allyloxy)-3-(3-carboxybenzyl)-1-[(6-ethylbenzo[...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC=C)ccc12
Show InChI InChI=1S/C31H27NO8/c1-3-10-38-22-8-9-25-23(15-22)29(33)24(12-18-6-5-7-20(11-18)30(34)35)28(31(36)37)32(25)16-21-14-27-26(39-17-40-27)13-19(21)4-2/h3,5-9,11,13-15H,1,4,10,12,16-17H2,2H3,(H,34,35)(H,36,37)
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n/an/a 1.13E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329849
PNG
(3-(3-Carboxybenzyl)-6-(carboxymethoxy)-1-[(6-ethyl...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(O)=O)ccc12
Show InChI InChI=1S/C30H25NO10/c1-2-17-10-24-25(41-15-40-24)11-19(17)13-31-23-7-6-20(39-14-26(32)33)12-21(23)28(34)22(27(31)30(37)38)9-16-4-3-5-18(8-16)29(35)36/h3-8,10-12H,2,9,13-15H2,1H3,(H,32,33)(H,35,36)(H,37,38)
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n/an/a 1.45E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329844
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCC(C)C)ccc12
Show InChI InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)
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n/an/a 1.98E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329838
PNG
(3-(3-Carboxybenzyl)-6-ethoxy-1-[(6-ethylbenzo[d][1...)
Show SMILES CCOc1ccc2n(Cc3cc4OCOc4cc3CC)c(C(O)=O)c(Cc3cccc(c3)C(O)=O)c(=O)c2c1
Show InChI InChI=1S/C30H27NO8/c1-3-18-12-25-26(39-16-38-25)13-20(18)15-31-24-9-8-21(37-4-2)14-22(24)28(32)23(27(31)30(35)36)11-17-6-5-7-19(10-17)29(33)34/h5-10,12-14H,3-4,11,15-16H2,1-2H3,(H,33,34)(H,35,36)
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n/an/a 3.12E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329848
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(OCCCO)ccc12
Show InChI InChI=1S/C31H29NO9/c1-2-19-13-26-27(41-17-40-26)14-21(19)16-32-25-8-7-22(39-10-4-9-33)15-23(25)29(34)24(28(32)31(37)38)12-18-5-3-6-20(11-18)30(35)36/h3,5-8,11,13-15,33H,2,4,9-10,12,16-17H2,1H3,(H,35,36)(H,37,38)
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n/an/a 4.39E+3n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
Endothelin receptor type B


(Homo sapiens (Human))		BDBM50329837
PNG
(3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol...)
Show SMILES CCc1cc2OCOc2cc1Cn1c(C(O)=O)c(Cc2cccc(c2)C(O)=O)c(=O)c2cc(O)ccc12
Show InChI InChI=1S/C28H23NO8/c1-2-16-10-23-24(37-14-36-23)11-18(16)13-29-22-7-6-19(30)12-20(22)26(31)21(25(29)28(34)35)9-15-4-3-5-17(8-15)27(32)33/h3-8,10-12,30H,2,9,13-14H2,1H3,(H,32,33)(H,34,35)
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n/an/a 1.56E+4n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Displacement of [125I]ET1 from human ETB receptor expressed in membranes

Bioorg Med Chem Lett 20: 6840-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.074
BindingDB Entry DOI: 10.7270/Q2X34XPP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%