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PubMed code 10479298

Compile data set for download or QSAR
Found 60 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
EDNRA


()
BDBM50061074
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(3-fluoro-4-m...)
Show SMILES CCCCCS(=O)(=O)N(CCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)c(F)c1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H39FN2O7S/c1-4-6-7-15-40(35,36)32(12-5-2)14-13-31-18-22(20-8-11-25-26(17-20)39-19-38-25)27(29(33)34)28(31)21-9-10-24(37-3)23(30)16-21/h8-11,16-17,22,27-28H,4-7,12-15,18-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50051007
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbam...)
Show SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 0.0800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080589
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33FN2O6/c1-4-18-12-22(32)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)40-17-39-25)28(31(36)37)30(34)20-6-9-23(38-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)/t24-,28-,30+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 0.850n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080593
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080602
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1
Show InChI InChI=1S/C33H38N2O6/c1-5-20-14-21(6-2)31(22(7-3)15-20)34-29(36)18-35-17-26(24-10-13-27-28(16-24)41-19-40-27)30(33(37)38)32(35)23-8-11-25(39-4)12-9-23/h8-16,26,30,32H,5-7,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080596
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-22-7-6-8-23(5-2)31(22)34-29(36)19-35-18-26(25-13-14-27-28(17-25)41-20-40-27)30(33(37)38)32(35)24-11-9-21(10-12-24)15-16-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080594
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-m...)
Show SMILES CCc1cccc(C)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O6/c1-4-19-7-5-6-18(2)28(19)31-26(33)16-32-15-23(21-10-13-24-25(14-21)38-17-37-24)27(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h5-14,23,27,29H,4,15-17H2,1-3H3,(H,31,33)(H,34,35)/t23-,27-,29+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080605
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-m...)
Show SMILES CCc1cccc(OC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O7/c1-4-18-6-5-7-24(37-3)28(18)31-26(33)16-32-15-22(20-10-13-23-25(14-20)39-17-38-23)27(30(34)35)29(32)19-8-11-21(36-2)12-9-19/h5-14,22,27,29H,4,15-17H2,1-3H3,(H,31,33)(H,34,35)/t22-,27-,29+/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080601
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080606
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-5-21-8-7-9-22(6-2)31(21)34-29(36)18-35-17-26(24-12-15-27-28(16-24)40-19-39-27)30(33(37)38)32(35)23-10-13-25(14-11-23)41-20(3)4/h7-16,20,26,30,32H,5-6,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080609
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dibromo...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(Br)cccc1Br)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H24Br2N2O6/c1-35-17-8-5-15(6-9-17)26-24(27(33)34)18(16-7-10-21-22(11-16)37-14-36-21)12-31(26)13-23(32)30-25-19(28)3-2-4-20(25)29/h2-11,18,24,26H,12-14H2,1H3,(H,30,32)(H,33,34)/t18-,24-,26+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080602
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-ph...)
Show SMILES CCc1cc(CC)c(NC(=O)CN2C[C@@H]([C@H]([C@@H]2c2ccc(OC)cc2)C(O)=O)c2ccc3OCOc3c2)c(CC)c1
Show InChI InChI=1S/C33H38N2O6/c1-5-20-14-21(6-2)31(22(7-3)15-20)34-29(36)18-35-17-26(24-10-13-27-28(16-24)41-19-40-27)30(33(37)38)32(35)23-8-11-25(39-4)12-9-23/h8-16,26,30,32H,5-7,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080601
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080595
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dipropy...)
Show SMILES CCCc1cccc(CCC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-7-21-9-6-10-22(8-5-2)31(21)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6,9-17,26,30,32H,4-5,7-8,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080585
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-p...)
Show SMILES CCCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-4-7-21-9-6-8-20(5-2)30(21)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-3)14-11-22/h6,8-16,25,29,31H,4-5,7,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080594
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-m...)
Show SMILES CCc1cccc(C)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O6/c1-4-19-7-5-6-18(2)28(19)31-26(33)16-32-15-23(21-10-13-24-25(14-21)38-17-37-24)27(30(34)35)29(32)20-8-11-22(36-3)12-9-20/h5-14,23,27,29H,4,15-17H2,1-3H3,(H,31,33)(H,34,35)/t23-,27-,29+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080604
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,3-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cccc(C)c1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-23(18(17)2)30-26(32)15-31-14-22(20-9-12-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080599
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-18(2)27(17)30-25(32)15-31-14-22(20-9-12-23-24(13-20)37-16-36-23)26(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,26-,28+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080600
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimetho...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(OC)cccc1OC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O8/c1-35-19-10-7-17(8-11-19)28-26(29(33)34)20(18-9-12-21-24(13-18)39-16-38-21)14-31(28)15-25(32)30-27-22(36-2)5-4-6-23(27)37-3/h4-13,20,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t20-,26-,28+/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080593
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(C)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-13-19(3)14-21(6-2)30(20)33-28(35)17-34-16-25(23-9-12-26-27(15-23)40-18-39-26)29(32(36)37)31(34)22-7-10-24(38-4)11-8-22/h7-15,25,29,31H,5-6,16-18H2,1-4H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080587
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-18(2)23-7-5-6-19(3)29(23)32-27(34)16-33-15-24(21-10-13-25-26(14-21)39-17-38-25)28(31(35)36)30(33)20-8-11-22(37-4)12-9-20/h5-14,18,24,28,30H,15-17H2,1-4H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080589
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cc(F)cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33FN2O6/c1-4-18-12-22(32)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)40-17-39-25)28(31(36)37)30(34)20-6-9-23(38-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)/t24-,28-,30+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080586
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,4-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1ccc(C)cc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-10-23(18(2)12-17)30-26(32)15-31-14-22(20-7-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-5-8-21(35-3)9-6-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080591
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopr...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-19(2)24-7-6-8-25(20(3)4)31(24)34-29(36)17-35-16-26(22-11-14-27-28(15-22)41-18-40-27)30(33(37)38)32(35)21-9-12-23(39-5)13-10-21/h6-15,19-20,26,30,32H,16-18H2,1-5H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080607
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,5-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cc(C)ccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-5-18(2)23(12-17)30-26(32)15-31-14-22(20-8-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-6-9-21(35-3)10-7-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080599
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-18(2)27(17)30-25(32)15-31-14-22(20-9-12-23-24(13-20)37-16-36-23)26(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,26-,28+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080590
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(4-carboxy-2...)
Show SMILES CCc1cc(cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H34N2O8/c1-4-18-12-22(31(36)37)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)42-17-41-25)28(32(38)39)30(34)20-6-9-23(40-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t24-,28-,30+/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080598
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,4-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1ccc(C)c(C)c1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-8-21(12-18(17)2)30-26(32)15-31-14-23(20-7-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-5-9-22(35-3)10-6-19/h4-13,23,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080600
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dimetho...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(OC)cccc1OC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O8/c1-35-19-10-7-17(8-11-19)28-26(29(33)34)20(18-9-12-21-24(13-18)39-16-38-21)14-31(28)15-25(32)30-27-22(36-2)5-4-6-23(27)37-3/h4-13,20,26,28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t20-,26-,28+/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080609
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dibromo...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(Br)cccc1Br)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C27H24Br2N2O6/c1-35-17-8-5-15(6-9-17)26-24(27(33)34)18(16-7-10-21-22(11-16)37-14-36-21)12-31(26)13-23(32)30-25-19(28)3-2-4-20(25)29/h2-11,18,24,26H,12-14H2,1H3,(H,30,32)(H,33,34)/t18-,24-,26+/m1/s1
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n/an/a 61n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080586
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,4-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1ccc(C)cc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-10-23(18(2)12-17)30-26(32)15-31-14-22(20-7-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-5-8-21(35-3)9-6-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080604
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,3-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cccc(C)c1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-5-4-6-23(18(17)2)30-26(32)15-31-14-22(20-9-12-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-7-10-21(35-3)11-8-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080607
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,5-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cc(C)ccc1C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-5-18(2)23(12-17)30-26(32)15-31-14-22(20-8-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-6-9-21(35-3)10-7-19/h4-13,22,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t22-,27-,28+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080585
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-p...)
Show SMILES CCCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-4-7-21-9-6-8-20(5-2)30(21)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-3)14-11-22/h6,8-16,25,29,31H,4-5,7,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080592
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H34N2O6/c1-4-19-7-6-8-20(5-2)29(19)32-27(34)17-33-16-24(22-11-14-25-26(15-22)39-18-38-25)28(31(35)36)30(33)21-9-12-23(37-3)13-10-21/h6-15,24,28,30H,4-5,16-18H2,1-3H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080587
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-isopropyl...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(C)cccc1C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C31H34N2O6/c1-18(2)23-7-5-6-19(3)29(23)32-27(34)16-33-15-24(21-10-13-25-26(14-21)39-17-38-25)28(31(35)36)30(33)20-8-11-22(37-4)12-9-20/h5-14,18,24,28,30H,15-17H2,1-4H3,(H,32,34)(H,35,36)/t24-,28-,30+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080603
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,5-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cc(C)cc(C)c1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-10-18(2)12-21(11-17)30-26(32)15-31-14-23(20-6-9-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-4-7-22(35-3)8-5-19/h4-13,23,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080608
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{[(2,6-diethy...)
Show SMILES CCc1cccc(CC)c1N(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-8-7-9-21(6-2)30(20)33(3)28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-4)14-11-22/h7-16,25,29,31H,5-6,17-19H2,1-4H3,(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080605
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-m...)
Show SMILES CCc1cccc(OC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N2O7/c1-4-18-6-5-7-24(37-3)28(18)31-26(33)16-32-15-22(20-10-13-23-25(14-20)39-17-38-23)27(30(34)35)29(32)19-8-11-21(36-2)12-9-19/h5-14,22,27,29H,4,15-17H2,1-3H3,(H,31,33)(H,34,35)/t22-,27-,29+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080595
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-dipropy...)
Show SMILES CCCc1cccc(CCC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-7-21-9-6-10-22(8-5-2)31(21)34-29(36)19-35-18-26(24-13-16-27-28(17-24)41-20-40-27)30(33(37)38)32(35)23-11-14-25(39-3)15-12-23/h6,9-17,26,30,32H,4-5,7-8,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 460n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080608
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{[(2,6-diethy...)
Show SMILES CCc1cccc(CC)c1N(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H36N2O6/c1-5-20-8-7-9-21(6-2)30(20)33(3)28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-4)14-11-22/h7-16,25,29,31H,5-6,17-19H2,1-4H3,(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080598
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,4-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1ccc(C)c(C)c1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-4-8-21(12-18(17)2)30-26(32)15-31-14-23(20-7-11-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-5-9-22(35-3)10-6-19/h4-13,23,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t23-,27-,28+/m1/s1
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n/an/a 830n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080590
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(4-carboxy-2...)
Show SMILES CCc1cc(cc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H34N2O8/c1-4-18-12-22(31(36)37)13-19(5-2)29(18)33-27(35)16-34-15-24(21-8-11-25-26(14-21)42-17-41-25)28(32(38)39)30(34)20-6-9-23(40-3)10-7-20/h6-14,24,28,30H,4-5,15-17H2,1-3H3,(H,33,35)(H,36,37)(H,38,39)/t24-,28-,30+/m1/s1
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n/an/a 840n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080588
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C32H36N2O6/c1-4-20-8-7-9-21(5-2)30(20)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(14-11-22)38-6-3/h7-16,25,29,31H,4-6,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080591
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diisopr...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-19(2)24-7-6-8-25(20(3)4)31(24)34-29(36)17-35-16-26(22-11-14-27-28(15-22)41-18-40-27)30(33(37)38)32(35)21-9-12-23(39-5)13-10-21/h6-15,19-20,26,30,32H,16-18H2,1-5H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080606
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC(C)C)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-5-21-8-7-9-22(6-2)31(21)34-29(36)18-35-17-26(24-12-15-27-28(16-24)40-19-39-27)30(33(37)38)32(35)23-10-13-25(14-11-23)41-20(3)4/h7-16,20,26,30,32H,5-6,17-19H2,1-4H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRB


(HUMAN)
BDBM50080603
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(3,5-dimethy...)
Show SMILES COc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1cc(C)cc(C)c1)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C29H30N2O6/c1-17-10-18(2)12-21(11-17)30-26(32)15-31-14-23(20-6-9-24-25(13-20)37-16-36-24)27(29(33)34)28(31)19-4-7-22(35-3)8-5-19/h4-13,23,27-28H,14-16H2,1-3H3,(H,30,32)(H,33,34)/t23-,27-,28+/m1/s1
PDB

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n/an/a 2.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin B receptor (hET -B)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080597
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OCCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O7/c1-4-21-7-6-8-22(5-2)31(21)34-29(36)19-35-18-26(24-11-14-27-28(17-24)42-20-41-27)30(33(37)38)32(35)23-9-12-25(13-10-23)40-16-15-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080601
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080601
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCCOc1ccc(cc1)[C@H]1[C@@H]([C@H](CN1CC(=O)Nc1c(CC)cccc1CC)c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C33H38N2O6/c1-4-16-39-25-13-10-23(11-14-25)32-30(33(37)38)26(24-12-15-27-28(17-24)41-20-40-27)18-35(32)19-29(36)34-31-21(5-2)8-7-9-22(31)6-3/h7-15,17,26,30,32H,4-6,16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
EDNRA


()
BDBM50080596
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2,6-diethyl...)
Show SMILES CCc1cccc(CC)c1NC(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(CCOC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H38N2O6/c1-4-22-7-6-8-23(5-2)31(22)34-29(36)19-35-18-26(25-13-14-27-28(17-25)41-20-40-27)30(33(37)38)32(35)24-11-9-21(10-12-24)15-16-39-3/h6-14,17,26,30,32H,4-5,15-16,18-20H2,1-3H3,(H,34,36)(H,37,38)/t26-,30-,32+/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Endothelin A receptor (hET -A)


J Med Chem 42: 3668-78 (1999)


Article DOI: 10.1021/jm990170q
BindingDB Entry DOI: 10.7270/Q24T6HK7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%