Found 21 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50329850
((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 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286239
(CHEMBL315927 | [(1S,4R,5R)-11-((S)-Isobutyl)-14-((...)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](Cc2cccc3ccccc23)NC1=O)C(C)C Show InChI InChI=1S/C33H43N5O7/c1-18(2)15-23-29(41)34-24(16-21-11-7-10-20-9-5-6-12-22(20)21)30(42)36-25(17-27(39)40)33(45)38-14-8-13-26(38)31(43)37-28(19(3)4)32(44)35-23/h5-7,9-12,18-19,23-26,28H,8,13-17H2,1-4H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)/t23-,24+,25+,26-,28+/m0/s1 | PDB
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| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286244
(CHEMBL87296 | [(1S,4R,5R)-8-Benzyl-11-((S)-isobuty...)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](Cc2ccccc2)NC1=O)C(C)C Show InChI InChI=1S/C29H41N5O7/c1-16(2)13-19-25(37)30-20(14-18-9-6-5-7-10-18)26(38)32-21(15-23(35)36)29(41)34-12-8-11-22(34)27(39)33-24(17(3)4)28(40)31-19/h5-7,9-10,16-17,19-22,24H,8,11-15H2,1-4H3,(H,30,37)(H,31,40)(H,32,38)(H,33,39)(H,35,36)/t19-,20+,21+,22-,24+/m0/s1 | PDB
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| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286238
(CHEMBL314364 | {8-[(1H-Indole-2-carbonyl)-amino]-1...)Show SMILES CCCN1c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-15-18(11-12-23(24)30)28-26(34)21-14-17-7-3-5-9-20(17)29-21/h3-12,14-15,29H,2,13,16H2,1H3,(H,28,34)(H,32,33) | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286237
(CHEMBL86581 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-5...)Show SMILES CCCN1c2ccc(OCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C29H26N2O4/c1-2-16-30-25-13-6-5-12-24(25)29(34)31(18-28(32)33)27-17-22(14-15-26(27)30)35-19-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17H,2,16,18-19H2,1H3,(H,32,33) | PDB
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50329850
((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 | PDB
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286234
(CHEMBL86489 | [8-(2-1H-Indol-3-yl-acetylamino)-11-...)Show SMILES CCCN1c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N4O4/c1-2-13-31-23-10-6-4-8-21(23)28(36)32(17-27(34)35)25-15-19(11-12-24(25)31)30-26(33)14-18-16-29-22-9-5-3-7-20(18)22/h3-12,15-16,29H,2,13-14,17H2,1H3,(H,30,33)(H,34,35) | PDB
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286243
(CHEMBL421349 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-...)Show SMILES OC(=O)CN1c2cc(OCc3cccc4ccccc34)ccc2Nc2ccccc2C1=O Show InChI InChI=1S/C26H20N2O4/c29-25(30)15-28-24-14-19(32-16-18-8-5-7-17-6-1-2-9-20(17)18)12-13-23(24)27-22-11-4-3-10-21(22)26(28)31/h1-14,27H,15-16H2,(H,29,30) | PDB
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| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286240
(CHEMBL314915 | {8-[(Naphthalen-1-ylmethyl)-amino]-...)Show SMILES CCCN1c2ccc(NCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C29H27N3O3/c1-2-16-31-25-13-6-5-12-24(25)29(35)32(19-28(33)34)27-17-22(14-15-26(27)31)30-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17,30H,2,16,18-19H2,1H3,(H,33,34) | PDB
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| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286242
(CHEMBL315096 | {8-[(1H-Indole-3-carbonyl)-amino]-1...)Show SMILES CCCN1c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-14-17(11-12-23(24)30)29-26(34)20-15-28-21-9-5-3-7-18(20)21/h3-12,14-15,28H,2,13,16H2,1H3,(H,29,34)(H,32,33) | PDB
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| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286235
(CHEMBL313184 | [8-(1H-Indol-3-ylmethyl)-11-oxo-5-p...)Show SMILES CCCN1c2ccc(Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H25N3O3/c1-2-13-29-23-10-6-4-8-21(23)27(33)30(17-26(31)32)25-15-18(11-12-24(25)29)14-19-16-28-22-9-5-3-7-20(19)22/h3-12,15-16,28H,2,13-14,17H2,1H3,(H,31,32) | PDB
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| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286234
(CHEMBL86489 | [8-(2-1H-Indol-3-yl-acetylamino)-11-...)Show SMILES CCCN1c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C28H26N4O4/c1-2-13-31-23-10-6-4-8-21(23)28(36)32(17-27(34)35)25-15-19(11-12-24(25)31)30-26(33)14-18-16-29-22-9-5-3-7-20(18)22/h3-12,15-16,29H,2,13-14,17H2,1H3,(H,30,33)(H,34,35) | PDB
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| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286240
(CHEMBL314915 | {8-[(Naphthalen-1-ylmethyl)-amino]-...)Show SMILES CCCN1c2ccc(NCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C29H27N3O3/c1-2-16-31-25-13-6-5-12-24(25)29(35)32(19-28(33)34)27-17-22(14-15-26(27)31)30-18-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17,30H,2,16,18-19H2,1H3,(H,33,34) | PDB
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| 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286243
(CHEMBL421349 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-...)Show SMILES OC(=O)CN1c2cc(OCc3cccc4ccccc34)ccc2Nc2ccccc2C1=O Show InChI InChI=1S/C26H20N2O4/c29-25(30)15-28-24-14-19(32-16-18-8-5-7-17-6-1-2-9-20(17)18)12-13-23(24)27-22-11-4-3-10-21(22)26(28)31/h1-14,27H,15-16H2,(H,29,30) | PDB
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| 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286238
(CHEMBL314364 | {8-[(1H-Indole-2-carbonyl)-amino]-1...)Show SMILES CCCN1c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-15-18(11-12-23(24)30)28-26(34)21-14-17-7-3-5-9-20(17)29-21/h3-12,14-15,29H,2,13,16H2,1H3,(H,28,34)(H,32,33) | PDB
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| 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286235
(CHEMBL313184 | [8-(1H-Indol-3-ylmethyl)-11-oxo-5-p...)Show SMILES CCCN1c2ccc(Cc3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H25N3O3/c1-2-13-29-23-10-6-4-8-21(23)27(33)30(17-26(31)32)25-15-18(11-12-24(25)29)14-19-16-28-22-9-5-3-7-20(19)22/h3-12,15-16,28H,2,13-14,17H2,1H3,(H,31,32) | PDB
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| 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286237
(CHEMBL86581 | [8-(Naphthalen-1-ylmethoxy)-11-oxo-5...)Show SMILES CCCN1c2ccc(OCc3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C29H26N2O4/c1-2-16-30-25-13-6-5-12-24(25)29(34)31(18-28(32)33)27-17-22(14-15-26(27)30)35-19-21-10-7-9-20-8-3-4-11-23(20)21/h3-15,17H,2,16,18-19H2,1H3,(H,32,33) | PDB
Reactome pathway
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| 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286242
(CHEMBL315096 | {8-[(1H-Indole-3-carbonyl)-amino]-1...)Show SMILES CCCN1c2ccc(NC(=O)c3c[nH]c4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C27H24N4O4/c1-2-13-30-22-10-6-4-8-19(22)27(35)31(16-25(32)33)24-14-17(11-12-23(24)30)29-26(34)20-15-28-21-9-5-3-7-18(20)21/h3-12,14-15,28H,2,13,16H2,1H3,(H,29,34)(H,32,33) | PDB
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UniChem
Patents
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| Article
| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286236
(CHEMBL316247 | {8-[(Naphthalene-1-carbonyl)-amino]...)Show SMILES CCCN1c2ccc(NC(=O)c3cccc4ccccc34)cc2N(CC(O)=O)C(=O)c2ccccc12 Show InChI InChI=1S/C29H25N3O4/c1-2-16-31-24-13-6-5-11-23(24)29(36)32(18-27(33)34)26-17-20(14-15-25(26)31)30-28(35)22-12-7-9-19-8-3-4-10-21(19)22/h3-15,17H,2,16,18H2,1H3,(H,30,35)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 8.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50286241
((8-Benzyloxy-11-oxo-5,11-dihydro-dibenzo[b,e][1,4]...)Show InChI InChI=1S/C22H18N2O4/c25-21(26)13-24-20-12-16(28-14-15-6-2-1-3-7-15)10-11-19(20)23-18-9-5-4-8-17(18)22(24)27/h1-12,23H,13-14H2,(H,25,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET B receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50286241
((8-Benzyloxy-11-oxo-5,11-dihydro-dibenzo[b,e][1,4]...)Show InChI InChI=1S/C22H18N2O4/c25-21(26)13-24-20-12-16(28-14-15-6-2-1-3-7-15)10-11-19(20)23-18-9-5-4-8-17(18)22(24)27/h1-12,23H,13-14H2,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Affinity against ET A receptor |
Bioorg Med Chem Lett 5: 253-258 (1995)
Article DOI: 10.1016/0960-894X(95)00019-P
BindingDB Entry DOI: 10.7270/Q2X067JB |
More data for this
Ligand-Target Pair | |
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