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Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'shetty' and Initial = 'ss'   
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))
BDBM50101257
PNG
((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)
Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Tested for in vitro inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
EDNRB


(Homo sapiens (Human))
BDBM50101257
PNG
((1R,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(2-carboxymet...)
Show SMILES CCCOc1ccc2[C@H]([C@@H]([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H28O9/c1-3-10-35-18-6-7-19-21(12-18)27(20-8-5-17(34-2)13-23(20)36-14-25(30)31)28(29(32)33)26(19)16-4-9-22-24(11-16)38-15-37-22/h4-9,11-13,26-28H,3,10,14-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+,28+/m1/s1
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15n/an/an/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to CHO cells expressing human Endothelin B receptor at a concentration of 1 uM


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101268
PNG
(CHEMBL50232 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28+/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101258
PNG
(CHEMBL295440 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27NO9/c1-3-35-18-6-7-19-21(11-18)28(20-8-5-17(34-2)12-23(20)36-14-26(32)33)29(13-25(30)31)27(19)16-4-9-22-24(10-16)38-15-37-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t27-,28-/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101271
PNG
(CHEMBL47868 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-(...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101259
PNG
(CHEMBL298212 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H25NO10/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(30)31)29(27(32)28(33)34)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,30,31)(H,33,34)/t25-,26-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101262
PNG
(3-[2-((1R,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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KEGG

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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin A receptor in porcine thoracic aorta membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101275
PNG
(4-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H31NO9/c1-3-37-20-8-9-21-23(14-20)30(22-10-7-19(36-2)15-25(22)38-12-4-5-27(32)33)31(16-28(34)35)29(21)18-6-11-24-26(13-18)40-17-39-24/h6-11,13-15,29-30H,3-5,12,16-17H2,1-2H3,(H,32,33)(H,34,35)/t29-,30-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101261
PNG
(CHEMBL295140 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101249
PNG
(CHEMBL301371 | {2-[(1S,3R)-3-Benzo[1,3]dioxol-5-yl...)
Show SMILES CCOc1ccc2[C@H](N([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)c1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H25N5O7/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(33)34)32(27-28-30-31-29-27)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,33,34)(H,28,29,30,31)/t25-,26-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101274
PNG
(CHEMBL430572 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26+/m1/s1
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n/an/a 58n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101254
PNG
(CHEMBL301723 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101250
PNG
(3-[2-((1S,3R)-3-Benzo[1,3]dioxol-5-yl-2-carboxymet...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCC(C)(C)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H33NO9/c1-5-38-20-8-9-21-23(13-20)29(22-10-7-19(37-4)14-25(22)39-16-31(2,3)30(35)36)32(15-27(33)34)28(21)18-6-11-24-26(12-18)41-17-40-24/h6-14,28-29H,5,15-17H2,1-4H3,(H,33,34)(H,35,36)/t28-,29-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101247
PNG
(CHEMBL49850 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1O)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO7/c1-3-32-17-6-7-18-20(11-17)26(19-8-5-16(31-2)12-21(19)28)27(13-24(29)30)25(18)15-4-9-22-23(10-15)34-14-33-22/h4-12,25-26,28H,3,13-14H2,1-2H3,(H,29,30)/t25-,26-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101251
PNG
(CHEMBL300000 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101260
PNG
(CHEMBL48652 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26+/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101263
PNG
(CHEMBL49040 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-e...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H25NO6/c1-3-31-19-9-10-20-21(13-19)25(16-4-7-18(30-2)8-5-16)27(14-24(28)29)26(20)17-6-11-22-23(12-17)33-15-32-22/h4-13,25-26H,3,14-15H2,1-2H3,(H,28,29)/t25-,26-/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101264
PNG
(CHEMBL298664 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H29NO10/c1-4-37-17-6-7-18-20(12-17)27(19-8-10-22(35-2)29(36-3)28(19)38-14-25(33)34)30(13-24(31)32)26(18)16-5-9-21-23(11-16)40-15-39-21/h5-12,26-27H,4,13-15H2,1-3H3,(H,31,32)(H,33,34)/t26-,27+/m1/s1
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n/an/a 96n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101253
PNG
(CHEMBL417903 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cccc(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27NO9/c1-3-35-17-8-9-18-20(12-17)27(19-5-4-6-22(34-2)28(19)36-14-25(32)33)29(13-24(30)31)26(18)16-7-10-21-23(11-16)38-15-37-21/h4-12,26-27H,3,13-15H2,1-2H3,(H,30,31)(H,32,33)/t26-,27+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101269
PNG
(CHEMBL298922 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27NO6/c1-3-12-32-20-9-10-21-22(14-20)26(17-4-7-19(31-2)8-5-17)28(15-25(29)30)27(21)18-6-11-23-24(13-18)34-16-33-23/h4-11,13-14,26-27H,3,12,15-16H2,1-2H3,(H,29,30)/t26-,27-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested for its ability to inhibit the binding of [125I]-ET-1 to the Endothelin B receptor in rat cerebellum membranes.


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101255
PNG
(CHEMBL263723 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1cc(OC)c(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H31NO11/c1-5-39-17-7-8-18-19(11-17)27(20-12-23(36-2)29(37-3)30(38-4)28(20)40-14-25(34)35)31(13-24(32)33)26(18)16-6-9-21-22(10-16)42-15-41-21/h6-12,26-27H,5,13-15H2,1-4H3,(H,32,33)(H,34,35)/t26-,27+/m1/s1
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Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101273
PNG
(CHEMBL48261 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-(...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cc(OC)c(OC)c(OC)c1OCC(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H31NO11/c1-5-39-17-7-8-18-19(11-17)27(20-12-23(36-2)29(37-3)30(38-4)28(20)40-14-25(34)35)31(13-24(32)33)26(18)16-6-9-21-22(10-16)42-15-41-21/h6-12,26-27H,5,13-15H2,1-4H3,(H,32,33)(H,34,35)/t26-,27-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin receptor ET-A


(Sus scrofa)
BDBM50280990
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1
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n/an/a 422n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Endothelin A receptor


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Voltage-gated L-type calcium channel


(Rattus norvegicus-RAT)
BDBM50280989
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28+/m0/s1
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n/an/a 592n/an/an/an/an/an/a



TBA

Curated by ChEMBL




Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217006
PNG
(CHEMBL440684)
Show SMILES [H][C@@]12CC[C@@](O)(C=C=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:21|
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n/an/a 840n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101272
PNG
(CHEMBL299095 | {(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1OCc1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H27N5O7/c1-3-37-18-6-7-19-21(11-18)28(20-8-5-17(36-2)12-23(20)38-14-25-29-31-32-30-25)33(13-26(34)35)27(19)16-4-9-22-24(10-16)40-15-39-22/h4-12,27-28H,3,13-15H2,1-2H3,(H,34,35)(H,29,30,31,32)/t27-,28+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101267
PNG
(CHEMBL52110 | [(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-e...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-5-35-18-7-8-19-20(13-18)27(17-11-23(32-2)28(34-4)24(12-17)33-3)29(14-25(30)31)26(19)16-6-9-21-22(10-16)37-15-36-21/h6-13,26-27H,5,14-15H2,1-4H3,(H,30,31)/t26-,27+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
EDNRB


(RAT)
BDBM50280990
PNG
(2,6-dimethyl-5-methyloxycarbonyl-4-(3-nitrophenyl)...)
Show SMILES COC(=O)C1[C@@H](C(C(=O)OC(=[OH+])C2=C(C)N=C(C)C([C@@H]2c2cccc(c2)[N+]([O-])=O)=C([O-])OC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:29.31,c:12,37,t:15,34|
Show InChI InChI=1S/C32H30N4O11/c1-15-23(29(37)45-5)27(19-9-7-11-21(13-19)35(41)42)25(17(3)33-15)31(39)47-32(40)26-18(4)34-16(2)24(30(38)46-6)28(26)20-10-8-12-22(14-20)36(43)44/h7-14,23,27-28,38H,1-6H3/t23?,27-,28-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for its inhibitory activity against Endothelin B receptor


Bioorg Med Chem Lett 3: 2099-2104 (1993)


Article DOI: 10.1016/S0960-894X(01)81025-8
BindingDB Entry DOI: 10.7270/Q2DV1JS8
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101248
PNG
(CHEMBL297353 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES COc1ccc(cc1)[C@H]1N(CC(O)=O)[C@@H](c2ccc(OC)cc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C25H23NO6/c1-29-17-6-3-15(4-7-17)24-20-12-18(30-2)8-9-19(20)25(26(24)13-23(27)28)16-5-10-21-22(11-16)32-14-31-21/h3-12,24-25H,13-14H2,1-2H3,(H,27,28)/t24-,25-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217000
PNG
(CHEMBL303716)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:18|
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n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217005
PNG
(CHEMBL307896)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/O |c:20|
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n/an/a 5.80E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217003
PNG
(CHEMBL70688)
Show SMILES [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(N)=O)C(C)C |c:4,7|
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n/an/a 6.70E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217007
PNG
(CHEMBL70488)
Show SMILES [H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CN)C(C)C
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n/an/a 9.50E+3n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101256
PNG
((1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-ethoxy-2-(1H-tet...)
Show SMILES CCOc1ccc2[C@H](N([C@H](c2c1)c1cc(OC)c(OC)c(OC)c1)c1nnn[nH]1)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H27N5O6/c1-5-36-17-7-8-18-19(13-17)25(16-11-22(33-2)26(35-4)23(12-16)34-3)32(27-28-30-31-29-27)24(18)15-6-9-20-21(10-15)38-14-37-20/h6-13,24-25H,5,14H2,1-4H3,(H,28,29,30,31)/t24-,25+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101270
PNG
(CHEMBL49007 | [(1S,3S)-1-(2-Carboxymethoxy-4-metho...)
Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O
Show InChI InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101266
PNG
(CHEMBL47563 | [(1S,3R)-1-(2-Carboxymethoxy-4-metho...)
Show SMILES CCCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1)c1ccc(OC)cc1OCC(O)=O
Show InChI InChI=1S/C29H31NO8/c1-4-13-37-21-10-11-22-24(14-21)28(18-5-7-19(35-2)8-6-18)30(16-26(31)32)29(22)23-12-9-20(36-3)15-25(23)38-17-27(33)34/h5-12,14-15,28-29H,4,13,16-17H2,1-3H3,(H,31,32)(H,33,34)/t28-,29+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101265
PNG
(CHEMBL298569 | {(1R,3S)-1-Benzo[1,3]dioxol-5-yl-5-...)
Show SMILES CCOc1ccc2[C@H](N(CC(O)=O)[C@@H](c2c1)c1ccc(OC)cc1OCCO)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H29NO8/c1-3-34-19-6-7-20-22(13-19)28(21-8-5-18(33-2)14-24(21)35-11-10-30)29(15-26(31)32)27(20)17-4-9-23-25(12-17)37-16-36-23/h4-9,12-14,27-28,30H,3,10-11,15-16H2,1-2H3,(H,31,32)/t27-,28-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Endothelin-1 receptor


(Homo sapiens (Human))
BDBM50101252
PNG
(CHEMBL432499 | [(1R,3R)-1-Benzo[1,3]dioxol-5-yl-3-...)
Show SMILES CCOc1ccc2[C@H](N([C@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(=O)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C28H25NO10/c1-3-36-17-6-7-18-20(11-17)26(19-8-5-16(35-2)12-22(19)37-13-24(30)31)29(27(32)28(33)34)25(18)15-4-9-21-23(10-15)39-14-38-21/h4-12,25-26H,3,13-14H2,1-2H3,(H,30,31)(H,33,34)/t25-,26+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to CHO cells expressing recombinant human Endothelin A receptor


Bioorg Med Chem Lett 11: 1737-40 (2001)


BindingDB Entry DOI: 10.7270/Q2B27TJ5
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50442901
PNG
(ABIETIC ACID | Abietic Acid)
Show SMILES [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C(C)C |r,c:4,7|
Show InChI InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217004
PNG
(CHEMBL70925)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C\C(CC[C@]12C)=N\O
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n/an/a 3.60E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217001
PNG
(CHEMBL304098)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C\C(CC[C@]12C)=N\O
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n/an/a 5.10E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50217002
PNG
(CHEMBL305511)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CC\C(C=C3CC[C@@]21[H])=N/CC(O)=O |c:18|
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n/an/a 5.60E+4n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM50080092
PNG
((17beta)-17-hydroxyestr-4-en-3-one | 17beta-hydrox...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O |r,t:8|
Show InChI InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase


(Homo sapiens (Human))
BDBM227588
PNG
(DCA)
Show SMILES OC(=O)C(Cl)Cl
Show InChI InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
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n/an/a>2.00E+6n/an/an/an/an/an/a



Novartis Institute for Biomedical Research

Curated by ChEMBL




Bioorg Med Chem Lett 9: 2223-8 (1999)


BindingDB Entry DOI: 10.7270/Q2RN3B1Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)