Found 7 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50459264' 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 |
|---|
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(RAT) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 18 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for... |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 380 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio... |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 617 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ... |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(RAT) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.40 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p... |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(Homo sapiens (Human)) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be... |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
Urotensin-2 receptor
(RAT) | BDBM50459264
(CHEMBL4216988)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43+,44+,45+,46+,47+,48+,49+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Universit£ du Qu£bec
Curated by ChEMBL
| Assay Description
Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction |
J Med Chem 61: 8707-8716 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00789
BindingDB Entry DOI: 10.7270/Q2959M57 |
More data for this
Ligand-Target Pair | |
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