Found 30 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)) | BDBM50284708
(5-(4-chlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C25H17ClO5/c26-14-8-5-12(6-9-14)13-7-10-16-18(11-13)23(27)17-4-2-1-3-15(17)19-20(16)22(25(30)31)21(19)24(28)29/h1-11,19-22H,(H,28,29)(H,30,31)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284711
(5-(4-methylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES Cc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O5/c1-13-6-8-14(9-7-13)15-10-11-17-19(12-15)24(27)18-5-3-2-4-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284711
(5-(4-methylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES Cc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O5/c1-13-6-8-14(9-7-13)15-10-11-17-19(12-15)24(27)18-5-3-2-4-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284708
(5-(4-chlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(Cl)cc1)C(O)=O Show InChI InChI=1S/C25H17ClO5/c26-14-8-5-12(6-9-14)13-7-10-16-18(11-13)23(27)17-4-2-1-3-15(17)19-20(16)22(25(30)31)21(19)24(28)29/h1-11,19-22H,(H,28,29)(H,30,31)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284706
(5-(4-ethylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrahy...)Show SMILES CCc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H22O5/c1-2-14-7-9-15(10-8-14)16-11-12-18-20(13-16)25(28)19-6-4-3-5-17(19)21-22(18)24(27(31)32)23(21)26(29)30/h3-13,21-24H,2H2,1H3,(H,29,30)(H,31,32)/t21-,22+,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284709
(7-oxo-5-phenyl-(1R,2S)-2,2a,7,11b-tetrahydro-1H-di...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccccc1)C(O)=O Show InChI InChI=1S/C25H18O5/c26-23-17-9-5-4-8-15(17)19-20(22(25(29)30)21(19)24(27)28)16-11-10-14(12-18(16)23)13-6-2-1-3-7-13/h1-12,19-22H,(H,27,28)(H,29,30)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284704
(5-(4-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-15-9-6-13(7-10-15)14-8-11-17-19(12-14)24(27)18-5-3-2-4-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284707
(5-(1-naphthyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C29H20O5/c30-27-21-10-4-3-9-19(21)23-24(26(29(33)34)25(23)28(31)32)20-13-12-16(14-22(20)27)18-11-5-7-15-6-1-2-8-17(15)18/h1-14,23-26H,(H,31,32)(H,33,34)/t23-,24+,25-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284703
(5-(2,4-dichlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-te...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C25H16Cl2O5/c26-12-6-8-13(18(27)10-12)11-5-7-15-17(9-11)23(28)16-4-2-1-3-14(16)19-20(15)22(25(31)32)21(19)24(29)30/h1-10,19-22H,(H,29,30)(H,31,32)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284706
(5-(4-ethylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrahy...)Show SMILES CCc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C27H22O5/c1-2-14-7-9-15(10-8-14)16-11-12-18-20(13-16)25(28)19-6-4-3-5-17(19)21-22(18)24(27(31)32)23(21)26(29)30/h3-13,21-24H,2H2,1H3,(H,29,30)(H,31,32)/t21-,22+,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284716
(5-bromo-7-oxo-(1S,2R)-2,2a,7,11b-tetrahydro-1H-dib...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(Br)ccc21)C(O)=O Show InChI InChI=1S/C19H13BrO5/c20-8-5-6-10-12(7-8)17(21)11-4-2-1-3-9(11)13-14(10)16(19(24)25)15(13)18(22)23/h1-7,13-16H,(H,22,23)(H,24,25)/t13-,14+,15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284704
(5-(4-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1ccc(cc1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-15-9-6-13(7-10-15)14-8-11-17-19(12-14)24(27)18-5-3-2-4-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284713
(5,9-dibromo-7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H...)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]2[C@H]1c1ccc(Br)cc1C(=O)c1cc(Br)ccc21)C(O)=O Show InChI InChI=1S/C19H12Br2O5/c20-7-1-3-9-11(5-7)17(22)12-6-8(21)2-4-10(12)14-13(9)15(18(23)24)16(14)19(25)26/h1-6,13-16H,(H,23,24)(H,25,26)/t13-,14+,15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284717
(7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H-dibenzo[a,e...)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]2[C@H]1c1ccccc1C(=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284716
(5-bromo-7-oxo-(1S,2R)-2,2a,7,11b-tetrahydro-1H-dib...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(Br)ccc21)C(O)=O Show InChI InChI=1S/C19H13BrO5/c20-8-5-6-10-12(7-8)17(21)11-4-2-1-3-9(11)13-14(10)16(19(24)25)15(13)18(22)23/h1-7,13-16H,(H,22,23)(H,24,25)/t13-,14+,15-,16+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284709
(7-oxo-5-phenyl-(1R,2S)-2,2a,7,11b-tetrahydro-1H-di...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccccc1)C(O)=O Show InChI InChI=1S/C25H18O5/c26-23-17-9-5-4-8-15(17)19-20(22(25(29)30)21(19)24(27)28)16-11-10-14(12-18(16)23)13-6-2-1-3-7-13/h1-12,19-22H,(H,27,28)(H,29,30)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284713
(5,9-dibromo-7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H...)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]2[C@H]1c1ccc(Br)cc1C(=O)c1cc(Br)ccc21)C(O)=O Show InChI InChI=1S/C19H12Br2O5/c20-7-1-3-9-11(5-7)17(22)12-6-8(21)2-4-10(12)14-13(9)15(18(23)24)16(14)19(25)26/h1-6,13-16H,(H,23,24)(H,25,26)/t13-,14+,15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284705
(5-(3-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1cccc(c1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-15-6-4-5-13(11-15)14-9-10-17-19(12-14)24(27)18-8-3-2-7-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284712
(5-(3,5-dichlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-te...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1cc(Cl)cc(Cl)c1)C(O)=O Show InChI InChI=1S/C25H16Cl2O5/c26-13-7-12(8-14(27)10-13)11-5-6-16-18(9-11)23(28)17-4-2-1-3-15(17)19-20(16)22(25(31)32)21(19)24(29)30/h1-10,19-22H,(H,29,30)(H,31,32)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
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| Article
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284710
(5-(2-methylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES Cc1ccccc1-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O5/c1-13-6-2-3-7-15(13)14-10-11-17-19(12-14)24(27)18-9-5-4-8-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284714
(5-(2-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1ccccc1-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-19-9-5-4-6-14(19)13-10-11-16-18(12-13)24(27)17-8-3-2-7-15(17)20-21(16)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284705
(5-(3-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1cccc(c1)-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-15-6-4-5-13(11-15)14-9-10-17-19(12-14)24(27)18-8-3-2-7-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284715
(5-[2,4-di(trifluoromethyl)phenyl]-7-oxo-(1R,2S)-2,...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(O)=O Show InChI InChI=1S/C27H16F6O5/c28-26(29,30)12-6-8-13(18(10-12)27(31,32)33)11-5-7-15-17(9-11)23(34)16-4-2-1-3-14(16)19-20(15)22(25(37)38)21(19)24(35)36/h1-10,19-22H,(H,35,36)(H,37,38)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284710
(5-(2-methylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrah...)Show SMILES Cc1ccccc1-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O5/c1-13-6-2-3-7-15(13)14-10-11-17-19(12-14)24(27)18-9-5-4-8-16(18)20-21(17)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284703
(5-(2,4-dichlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-te...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(Cl)cc1Cl)C(O)=O Show InChI InChI=1S/C25H16Cl2O5/c26-12-6-8-13(18(27)10-12)11-5-7-15-17(9-11)23(28)16-4-2-1-3-14(16)19-20(15)22(25(31)32)21(19)24(29)30/h1-10,19-22H,(H,29,30)(H,31,32)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284717
(7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H-dibenzo[a,e...)Show SMILES OC(=O)[C@H]1[C@H]([C@@H]2[C@H]1c1ccccc1C(=O)c1ccccc21)C(O)=O Show InChI InChI=1S/C19H14O5/c20-17-11-7-3-1-5-9(11)13-14(10-6-2-4-8-12(10)17)16(19(23)24)15(13)18(21)22/h1-8,13-16H,(H,21,22)(H,23,24)/t13-,14+,15-,16+ | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETB receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284707
(5-(1-naphthyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C29H20O5/c30-27-21-10-4-3-9-19(21)23-24(26(29(33)34)25(23)28(31)32)20-13-12-16(14-22(20)27)18-11-5-7-15-6-1-2-8-17(15)18/h1-14,23-26H,(H,31,32)(H,33,34)/t23-,24+,25-,26+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284715
(5-[2,4-di(trifluoromethyl)phenyl]-7-oxo-(1R,2S)-2,...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(O)=O Show InChI InChI=1S/C27H16F6O5/c28-26(29,30)12-6-8-13(18(10-12)27(31,32)33)11-5-7-15-17(9-11)23(34)16-4-2-1-3-14(16)19-20(15)22(25(37)38)21(19)24(35)36/h1-10,19-22H,(H,35,36)(H,37,38)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284712
(5-(3,5-dichlorophenyl)-7-oxo-(1R,2S)-2,2a,7,11b-te...)Show SMILES OC(=O)[C@@H]1[C@@H]([C@H]2[C@@H]1c1ccccc1C(=O)c1cc(ccc21)-c1cc(Cl)cc(Cl)c1)C(O)=O Show InChI InChI=1S/C25H16Cl2O5/c26-13-7-12(8-14(27)10-13)11-5-6-16-18(9-11)23(28)17-4-2-1-3-15(17)19-20(16)22(25(31)32)21(19)24(29)30/h1-10,19-22H,(H,29,30)(H,31,32)/t19-,20+,21-,22+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284714
(5-(2-methoxyphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetra...)Show SMILES COc1ccccc1-c1ccc2[C@H]3[C@H]([C@H]([C@H]3c3ccccc3C(=O)c2c1)C(O)=O)C(O)=O Show InChI InChI=1S/C26H20O6/c1-32-19-9-5-4-6-14(19)13-10-11-16-18(12-13)24(27)17-8-3-2-7-15(17)20-21(16)23(26(30)31)22(20)25(28)29/h2-12,20-23H,1H3,(H,28,29)(H,30,31)/t20-,21+,22-,23+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity towards cloned human ETA receptor |
Bioorg Med Chem Lett 5: 1401-1404 (1995)
Article DOI: 10.1016/0960-894X(95)00230-Q
BindingDB Entry DOI: 10.7270/Q2BK1C9J |
More data for this
Ligand-Target Pair | |
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