Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50045476 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
(RAT) | BDBM50064000
(CHEMBL3400988)Show SMILES CC(=O)c1ccc(OCc2ccc3OCOc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24O7/c1-17(27)21-9-8-20(30-15-18-7-10-23-25(13-18)32-16-31-23)14-24(21)33-22(11-12-26(28)29)19-5-3-2-4-6-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of PD156707 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063998
(CHEMBL3400989)Show SMILES CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H22N2O5S/c1-16(28)20-9-8-19(31-15-17-7-10-21-22(13-17)27-33-26-21)14-24(20)32-23(11-12-25(29)30)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
Reactome pathway
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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063997
(CHEMBL3400996)Show SMILES OC(=O)CCC(Oc1cc(OCc2ccc3nonc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063999
(CHEMBL3400984)Show SMILES CC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H24O5/c1-18(26)22-13-12-21(29-17-19-8-4-2-5-9-19)16-24(22)30-23(14-15-25(27)28)20-10-6-3-7-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50063996
(CHEMBL3400998)Show SMILES OC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC#N)c1ccccc1 Show InChI InChI=1S/C24H21NO4/c25-15-7-12-22(19-10-5-2-6-11-19)29-23-16-20(13-14-21(23)24(26)27)28-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16,22H,7,12,17H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(RAT) | BDBM50029352
(CHEMBL336033 | [(5S,8S,11R,14S,16aR)-8-(1H-Indol-3...)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 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+/m1/s1 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETA receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50061101
(4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-...)Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCCO)-c1ncccn1 Show InChI InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | PDB
Reactome pathway
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UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 95 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063997
(CHEMBL3400996)Show SMILES OC(=O)CCC(Oc1cc(OCc2ccc3nonc3c2)ccc1C#N)c1ccccc1 Show InChI InChI=1S/C24H19N3O5/c25-14-18-7-8-19(30-15-16-6-9-20-21(12-16)27-32-26-20)13-23(18)31-22(10-11-24(28)29)17-4-2-1-3-5-17/h1-9,12-13,22H,10-11,15H2,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063998
(CHEMBL3400989)Show SMILES CC(=O)c1ccc(OCc2ccc3nsnc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H22N2O5S/c1-16(28)20-9-8-19(31-15-17-7-10-21-22(13-17)27-33-26-21)14-24(20)32-23(11-12-25(29)30)18-5-3-2-4-6-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,29,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 198 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50064000
(CHEMBL3400988)Show SMILES CC(=O)c1ccc(OCc2ccc3OCOc3c2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24O7/c1-17(27)21-9-8-20(30-15-18-7-10-23-25(13-18)32-16-31-23)14-24(21)33-22(11-12-26(28)29)19-5-3-2-4-6-19/h2-10,13-14,22H,11-12,15-16H2,1H3,(H,28,29) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of S6c from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063996
(CHEMBL3400998)Show SMILES OC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC#N)c1ccccc1 Show InChI InChI=1S/C24H21NO4/c25-15-7-12-22(19-10-5-2-6-11-19)29-23-16-20(13-14-21(23)24(26)27)28-17-18-8-3-1-4-9-18/h1-6,8-11,13-14,16,22H,7,12,17H2,(H,26,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50063999
(CHEMBL3400984)Show SMILES CC(=O)c1ccc(OCc2ccccc2)cc1OC(CCC(O)=O)c1ccccc1 Show InChI InChI=1S/C25H24O5/c1-18(26)22-13-12-21(29-17-19-8-4-2-5-9-19)16-24(22)30-23(14-15-25(27)28)20-10-6-3-7-11-20/h2-13,16,23H,14-15,17H2,1H3,(H,27,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 453 | n/a | n/a | n/a | n/a | n/a | n/a |
Southeast University
Curated by ChEMBL
| Assay Description
Displacement of [125I]ET-1 from rat ETB receptor after 1 hr by Lowry method |
Bioorg Med Chem 23: 657-67 (2015)
Article DOI: 10.1016/j.bmc.2015.01.003
BindingDB Entry DOI: 10.7270/Q28K7BRM |
More data for this
Ligand-Target Pair | |
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