Found 3 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50185139' 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)) | BDBM50185139
(CHEMBL3823939)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](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay |
J Med Chem 59: 4740-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00108 BindingDB Entry DOI: 10.7270/Q2SB47Q1 |
More data for this Ligand-Target Pair | |
Urotensin-2 receptor
(RAT) | BDBM50185139
(CHEMBL3823939)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](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for URP -induced aortic contractions at 10'-5M relati... |
J Med Chem 59: 4740-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00108 BindingDB Entry DOI: 10.7270/Q2SB47Q1 |
More data for this Ligand-Target Pair | |
Urotensin-2 receptor
(RAT) | BDBM50185139
(CHEMBL3823939)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](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for hU2-induced aortic contractions at 10'-5M relativ... |
J Med Chem 59: 4740-52 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00108 BindingDB Entry DOI: 10.7270/Q2SB47Q1 |
More data for this Ligand-Target Pair | |