Found 24 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)) | BDBM50117909
(CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284470
(Benzo[1,3]dioxol-5-yl-[4-(2-ethyl-5,7-dimethyl-imi...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H37N3O5/c1-6-9-22-14-21(17-35-27(8-3)34-28-19(4)13-20(5)33-31(28)35)15-23(10-7-2)29(22)40-30(32(36)37)24-11-12-25-26(16-24)39-18-38-25/h11-16,30H,6-10,17-18H2,1-5H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50117909
(CHEMBL278176 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-7-9-28-19-26(21-42-34(8-2)40-35-24(5)18-25(6)39-37(35)42)10-16-31(28)48-36(29-13-17-32-33(20-29)47-22-46-32)38(43)41-49(44,45)30-14-11-27(12-15-30)23(3)4/h10-20,23,36H,7-9,21-22H2,1-6H3,(H,41,43) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284468
(5-Isobutyl-thiophene-2-sulfonic acid {2-benzo[1,3]...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C37H42N4O6S2/c1-7-9-26-18-25(20-41-32(8-2)39-34-23(5)17-24(6)38-36(34)41)10-13-29(26)47-35(27-11-14-30-31(19-27)46-21-45-30)37(42)40-49(43,44)33-15-12-28(48-33)16-22(3)4/h10-15,17-19,22,35H,7-9,16,20-21H2,1-6H3,(H,40,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284468
(5-Isobutyl-thiophene-2-sulfonic acid {2-benzo[1,3]...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C37H42N4O6S2/c1-7-9-26-18-25(20-41-32(8-2)39-34-23(5)17-24(6)38-36(34)41)10-13-29(26)47-35(27-11-14-30-31(19-27)46-21-45-30)37(42)40-49(43,44)33-15-12-28(48-33)16-22(3)4/h10-15,17-19,22,35H,7-9,16,20-21H2,1-6H3,(H,40,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284470
(Benzo[1,3]dioxol-5-yl-[4-(2-ethyl-5,7-dimethyl-imi...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C32H37N3O5/c1-6-9-22-14-21(17-35-27(8-3)34-28-19(4)13-20(5)33-31(28)35)15-23(10-7-2)29(22)40-30(32(36)37)24-11-12-25-26(16-24)39-18-38-25/h11-16,30H,6-10,17-18H2,1-5H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284472
(CHEMBL15573 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-e...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C41H48N4O6S/c1-8-11-30-20-28(23-45-36(10-3)43-37-26(6)19-27(7)42-40(37)45)21-31(12-9-2)38(30)51-39(32-15-18-34-35(22-32)50-24-49-34)41(46)44-52(47,48)33-16-13-29(14-17-33)25(4)5/h13-22,25,39H,8-12,23-24H2,1-7H3,(H,44,46) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284466
(5-Isobutyl-3H-1lambda*4*-thiophene-2-sulfonic acid...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C40H48N4O6S2/c1-8-11-28-19-27(22-44-34(10-3)42-36-25(6)18-26(7)41-39(36)44)20-29(12-9-2)37(28)50-38(30-13-15-32-33(21-30)49-23-48-32)40(45)43-52(46,47)35-16-14-31(51-35)17-24(4)5/h13-16,18-21,24,38H,8-12,17,22-23H2,1-7H3,(H,43,45) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284469
(CHEMBL16197 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-e...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(C)(=O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H40N4O6S/c1-7-10-23-15-22(18-37-28(9-3)35-29-20(4)14-21(5)34-32(29)37)16-24(11-8-2)30(23)43-31(33(38)36-44(6,39)40)25-12-13-26-27(17-25)42-19-41-26/h12-17,31H,7-11,18-19H2,1-6H3,(H,36,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284474
(3H-1lambda*4*-Thiophene-2-sulfonic acid {2-benzo[1...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1cccs1)c1ccc2OCOc2c1 Show InChI InChI=1S/C36H40N4O6S2/c1-6-10-25-17-24(20-40-30(8-3)38-32-22(4)16-23(5)37-35(32)40)18-26(11-7-2)33(25)46-34(27-13-14-28-29(19-27)45-21-44-28)36(41)39-48(42,43)31-12-9-15-47-31/h9,12-19,34H,6-8,10-11,20-21H2,1-5H3,(H,39,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284466
(5-Isobutyl-3H-1lambda*4*-thiophene-2-sulfonic acid...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccc(CC(C)C)s1)c1ccc2OCOc2c1 Show InChI InChI=1S/C40H48N4O6S2/c1-8-11-28-19-27(22-44-34(10-3)42-36-25(6)18-26(7)41-39(36)44)20-29(12-9-2)37(28)50-38(30-13-15-32-33(21-30)49-23-48-32)40(45)43-52(46,47)35-16-14-31(51-35)17-24(4)5/h13-16,18-21,24,38H,8-12,17,22-23H2,1-7H3,(H,43,45) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284467
(CHEMBL16018 | Propane-2-sulfonic acid {2-benzo[1,3...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C35H44N4O6S/c1-8-11-25-16-24(19-39-30(10-3)37-31-22(6)15-23(7)36-34(31)39)17-26(12-9-2)32(25)45-33(35(40)38-46(41,42)21(4)5)27-13-14-28-29(18-27)44-20-43-28/h13-18,21,33H,8-12,19-20H2,1-7H3,(H,38,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284473
(CHEMBL274243 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-6-12-27-19-26(22-42-33(8-3)40-34-24(4)18-25(5)39-37(34)42)20-28(13-7-2)35(27)48-36(29-16-17-31-32(21-29)47-23-46-31)38(43)41-49(44,45)30-14-10-9-11-15-30/h9-11,14-21,36H,6-8,12-13,22-23H2,1-5H3,(H,41,43) | 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
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284474
(3H-1lambda*4*-Thiophene-2-sulfonic acid {2-benzo[1...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1cccs1)c1ccc2OCOc2c1 Show InChI InChI=1S/C36H40N4O6S2/c1-6-10-25-17-24(20-40-30(8-3)38-32-22(4)16-23(5)37-35(32)40)18-26(11-7-2)33(25)46-34(27-13-14-28-29(19-27)45-21-44-28)36(41)39-48(42,43)31-12-9-15-47-31/h9,12-19,34H,6-8,10-11,20-21H2,1-5H3,(H,39,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284471
(Benzo[1,3]dioxol-5-yl-[4-(2-ethyl-5,7-dimethyl-imi...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H31N3O5/c1-5-7-20-13-19(15-32-25(6-2)31-26-17(3)12-18(4)30-28(26)32)8-10-22(20)37-27(29(33)34)21-9-11-23-24(14-21)36-16-35-23/h8-14,27H,5-7,15-16H2,1-4H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284469
(CHEMBL16197 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-e...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(C)(=O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C33H40N4O6S/c1-7-10-23-15-22(18-37-28(9-3)35-29-20(4)14-21(5)34-32(29)37)16-24(11-8-2)30(23)43-31(33(38)36-44(6,39)40)25-12-13-26-27(17-25)42-19-41-26/h12-17,31H,7-11,18-19H2,1-6H3,(H,36,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284472
(CHEMBL15573 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-e...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccc(cc1)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C41H48N4O6S/c1-8-11-30-20-28(23-45-36(10-3)43-37-26(6)19-27(7)42-40(37)45)21-31(12-9-2)38(30)51-39(32-15-18-34-35(22-32)50-24-49-34)41(46)44-52(47,48)33-16-13-29(14-17-33)25(4)5/h13-22,25,39H,8-12,23-24H2,1-7H3,(H,44,46) | PDB
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UniChem
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| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284471
(Benzo[1,3]dioxol-5-yl-[4-(2-ethyl-5,7-dimethyl-imi...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C29H31N3O5/c1-5-7-20-13-19(15-32-25(6-2)31-26-17(3)12-18(4)30-28(26)32)8-10-22(20)37-27(29(33)34)21-9-11-23-24(14-21)36-16-35-23/h8-14,27H,5-7,15-16H2,1-4H3,(H,33,34) | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284473
(CHEMBL274243 | N-{2-Benzo[1,3]dioxol-5-yl-2-[4-(2-...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)c1ccccc1)c1ccc2OCOc2c1 Show InChI InChI=1S/C38H42N4O6S/c1-6-12-27-19-26(22-42-33(8-3)40-34-24(4)18-25(5)39-37(34)42)20-28(13-7-2)35(27)48-36(29-16-17-31-32(21-29)47-23-46-31)38(43)41-49(44,45)30-14-10-9-11-15-30/h9-11,14-21,36H,6-8,12-13,22-23H2,1-5H3,(H,41,43) | PDB
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| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284467
(CHEMBL16018 | Propane-2-sulfonic acid {2-benzo[1,3...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2OCOc2c1 Show InChI InChI=1S/C35H44N4O6S/c1-8-11-25-16-24(19-39-30(10-3)37-31-22(6)15-23(7)36-34(31)39)17-26(12-9-2)32(25)45-33(35(40)38-46(41,42)21(4)5)27-13-14-28-29(18-27)44-20-43-28/h13-18,21,33H,8-12,19-20H2,1-7H3,(H,38,40) | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50284444
(CHEMBL15689 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,5...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccccc1 Show InChI InChI=1S/C28H31N3O3/c1-5-10-22-16-20(13-14-23(22)34-26(28(32)33)21-11-8-7-9-12-21)17-31-24(6-2)30-25-18(3)15-19(4)29-27(25)31/h7-9,11-16,26H,5-6,10,17H2,1-4H3,(H,32,33) | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50175515
((2,5-Dibromo-3,4-dimethoxy-phenyl)-[4-(2-ethyl-5,7...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1cc(Br)c(OC)c(OC)c1Br Show InChI InChI=1S/C33H39Br2N3O5/c1-8-11-21-14-20(17-38-25(10-3)37-27-18(4)13-19(5)36-32(27)38)15-22(12-9-2)28(21)43-29(33(39)40)23-16-24(34)30(41-6)31(42-7)26(23)35/h13-16,29H,8-12,17H2,1-7H3,(H,39,40) | PDB
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| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin A (ETA) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50175515
((2,5-Dibromo-3,4-dimethoxy-phenyl)-[4-(2-ethyl-5,7...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)cc(CCC)c1OC(C(O)=O)c1cc(Br)c(OC)c(OC)c1Br Show InChI InChI=1S/C33H39Br2N3O5/c1-8-11-21-14-20(17-38-25(10-3)37-27-18(4)13-19(5)36-32(27)38)15-22(12-9-2)28(21)43-29(33(39)40)23-16-24(34)30(41-6)31(42-7)26(23)35/h13-16,29H,8-12,17H2,1-7H3,(H,39,40) | PDB
UniProtKB/SwissProt
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PC cid
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| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50284444
(CHEMBL15689 | [4-(2-Ethyl-5,7-dimethyl-imidazo[4,5...)Show SMILES CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc23)ccc1OC(C(O)=O)c1ccccc1 Show InChI InChI=1S/C28H31N3O3/c1-5-10-22-16-20(13-14-23(22)34-26(28(32)33)21-11-8-7-9-12-21)17-31-24(6-2)30-25-18(3)15-19(4)29-27(25)31/h7-9,11-16,26H,5-6,10,17H2,1-4H3,(H,32,33) | PDB
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| CHEMBL
PC cid
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UniChem
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| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human endothelin B (ETB) receptor expressed in CHO cells |
Bioorg Med Chem Lett 5: 1155-1158 (1995)
Article DOI: 10.1016/0960-894X(95)00186-W
BindingDB Entry DOI: 10.7270/Q2DF6R5F |
More data for this
Ligand-Target Pair | |
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