Found 7 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50459267' 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)) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/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
(Homo sapiens (Human)) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/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 | 3.55E+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 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
(Homo sapiens (Human)) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/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 | 1.15E+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) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90 | 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 | |
Urotensin-2 receptor
(RAT) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.80 | 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)) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/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 | 661 | 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
(RAT) | BDBM50459267
(CHEMBL4209654)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)-c2ccccc2)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/C55H68N10O10S2/c1-31(2)47(55(74)75)65-54(73)46-30-77-76-29-45(63-48(67)32(3)57)53(72)61-42(25-33-16-20-36(21-17-33)35-11-5-4-6-12-35)50(69)62-44(27-37-28-58-40-14-8-7-13-39(37)40)52(71)59-41(15-9-10-24-56)49(68)60-43(51(70)64-46)26-34-18-22-38(66)23-19-34/h4-8,11-14,16-23,28,31-32,41-47,58,66H,9-10,15,24-27,29-30,56-57H2,1-3H3,(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,67)(H,64,70)(H,65,73)(H,74,75)/t32-,41+,42+,43+,44+,45+,46+,47+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.80 | 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 | |
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