Found 7 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50459262' 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)) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/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)) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/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 | 123 | 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) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | <1.00E+4 | 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
(Homo sapiens (Human)) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/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 | 47 | 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) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 1.10 | 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
(RAT) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 12 | 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)) | BDBM50459262
(CHEMBL4213538)Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/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 | 347 | 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 | |