Found 3 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50185137' 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)) | BDBM50185137
(CHEMBL3823569)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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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) | BDBM50185137
(CHEMBL3823569)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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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 | 2.60 | 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 | |
Urotensin-2 receptor
(RAT) | BDBM50185137
(CHEMBL3823569)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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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 | 9.10 | 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 | |