Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50445375'   

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))	BDBM50445375 (CHEMBL3104459) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O10S2/c1-27(2)42(50(69)70)59-47(66)40-26-72-71-25-39(57-43(62)28(3)52)46(65)56-37(22-29-11-5-4-6-12-29)49(68)60-24-38-33(32-13-7-8-14-34(32)53-38)23-41(60)48(67)54-35(15-9-10-20-51)44(63)55-36(45(64)58-40)21-30-16-18-31(61)19-17-30/h4-8,11-14,16-19,27-28,35-37,39-42,53,61H,9-10,15,20-26,51-52H2,1-3H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t28-,35-,36-,37-,39-,40-,41+,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	361	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Displacement of [125I]-Urotensin-2 from human GPR14 expressed in CHO cells after 90 mins by gamma counting analysis				J Med Chem 56: 9612-22 (2014) Article DOI: 10.1021/jm401153j BindingDB Entry DOI: 10.7270/Q2TD9ZTZ
					More data for this Ligand-Target Pair
Urotensin-2 receptor (Homo sapiens (Human))	BDBM50445375 (CHEMBL3104459) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O10S2/c1-27(2)42(50(69)70)59-47(66)40-26-72-71-25-39(57-43(62)28(3)52)46(65)56-37(22-29-11-5-4-6-12-29)49(68)60-24-38-33(32-13-7-8-14-34(32)53-38)23-41(60)48(67)54-35(15-9-10-20-51)44(63)55-36(45(64)58-40)21-30-16-18-31(61)19-17-30/h4-8,11-14,16-19,27-28,35-37,39-42,53,61H,9-10,15,20-26,51-52H2,1-3H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t28-,35-,36-,37-,39-,40-,41+,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	363	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Displacement of [125I]-Urotensin-2 from human GPR14 expressed in CHO cells after 90 mins by gamma counting analysis				J Med Chem 56: 9612-22 (2014) Article DOI: 10.1021/jm401153j BindingDB Entry DOI: 10.7270/Q2TD9ZTZ
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50445375 (CHEMBL3104459) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O10S2/c1-27(2)42(50(69)70)59-47(66)40-26-72-71-25-39(57-43(62)28(3)52)46(65)56-37(22-29-11-5-4-6-12-29)49(68)60-24-38-33(32-13-7-8-14-34(32)53-38)23-41(60)48(67)54-35(15-9-10-20-51)44(63)55-36(45(64)58-40)21-30-16-18-31(61)19-17-30/h4-8,11-14,16-19,27-28,35-37,39-42,53,61H,9-10,15,20-26,51-52H2,1-3H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t28-,35-,36-,37-,39-,40-,41+,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>0	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at urotensin-2 receptor in Sprague-Dawley rat aortic rings assessed as KCl-induced vasoconstriction				J Med Chem 56: 9612-22 (2014) Article DOI: 10.1021/jm401153j BindingDB Entry DOI: 10.7270/Q2TD9ZTZ
					More data for this Ligand-Target Pair
Urotensin-2 receptor (RAT)	BDBM50445375 (CHEMBL3104459) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2Cc3[nH]c4ccccc4c3C[C@@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O10S2/c1-27(2)42(50(69)70)59-47(66)40-26-72-71-25-39(57-43(62)28(3)52)46(65)56-37(22-29-11-5-4-6-12-29)49(68)60-24-38-33(32-13-7-8-14-34(32)53-38)23-41(60)48(67)54-35(15-9-10-20-51)44(63)55-36(45(64)58-40)21-30-16-18-31(61)19-17-30/h4-8,11-14,16-19,27-28,35-37,39-42,53,61H,9-10,15,20-26,51-52H2,1-3H3,(H,54,67)(H,55,63)(H,56,65)(H,57,62)(H,58,64)(H,59,66)(H,69,70)/t28-,35-,36-,37-,39-,40-,41+,42-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>0	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at urotensin-2 receptor in Sprague-Dawley rat aortic rings assessed as KCl-induced vasoconstriction				J Med Chem 56: 9612-22 (2014) Article DOI: 10.1021/jm401153j BindingDB Entry DOI: 10.7270/Q2TD9ZTZ
					More data for this Ligand-Target Pair