Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50445368'   

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))	BDBM50445368 (CHEMBL3104466) 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)N2Cc3ccccc3C[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/C48H63N9O10S2/c1-27(2)40(48(66)67)56-45(63)38-26-69-68-25-37(54-41(59)28(3)50)44(62)53-36(22-29-11-5-4-6-12-29)47(65)57-24-32-14-8-7-13-31(32)23-39(57)46(64)51-34(15-9-10-20-49)42(60)52-35(43(61)55-38)21-30-16-18-33(58)19-17-30/h4-8,11-14,16-19,27-28,34-40,58H,9-10,15,20-26,49-50H2,1-3H3,(H,51,64)(H,52,60)(H,53,62)(H,54,59)(H,55,61)(H,56,63)(H,66,67)/t28-,34-,35-,36-,37-,38-,39-,40-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>0	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))	BDBM50445368 (CHEMBL3104466) 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)N2Cc3ccccc3C[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/C48H63N9O10S2/c1-27(2)40(48(66)67)56-45(63)38-26-69-68-25-37(54-41(59)28(3)50)44(62)53-36(22-29-11-5-4-6-12-29)47(65)57-24-32-14-8-7-13-31(32)23-39(57)46(64)51-34(15-9-10-20-49)42(60)52-35(43(61)55-38)21-30-16-18-33(58)19-17-30/h4-8,11-14,16-19,27-28,34-40,58H,9-10,15,20-26,49-50H2,1-3H3,(H,51,64)(H,52,60)(H,53,62)(H,54,59)(H,55,61)(H,56,63)(H,66,67)/t28-,34-,35-,36-,37-,38-,39-,40-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>0	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)	BDBM50445368 (CHEMBL3104466) 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)N2Cc3ccccc3C[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/C48H63N9O10S2/c1-27(2)40(48(66)67)56-45(63)38-26-69-68-25-37(54-41(59)28(3)50)44(62)53-36(22-29-11-5-4-6-12-29)47(65)57-24-32-14-8-7-13-31(32)23-39(57)46(64)51-34(15-9-10-20-49)42(60)52-35(43(61)55-38)21-30-16-18-33(58)19-17-30/h4-8,11-14,16-19,27-28,34-40,58H,9-10,15,20-26,49-50H2,1-3H3,(H,51,64)(H,52,60)(H,53,62)(H,54,59)(H,55,61)(H,56,63)(H,66,67)/t28-,34-,35-,36-,37-,38-,39-,40-/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)	BDBM50445368 (CHEMBL3104466) 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)N2Cc3ccccc3C[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/C48H63N9O10S2/c1-27(2)40(48(66)67)56-45(63)38-26-69-68-25-37(54-41(59)28(3)50)44(62)53-36(22-29-11-5-4-6-12-29)47(65)57-24-32-14-8-7-13-31(32)23-39(57)46(64)51-34(15-9-10-20-49)42(60)52-35(43(61)55-38)21-30-16-18-33(58)19-17-30/h4-8,11-14,16-19,27-28,34-40,58H,9-10,15,20-26,49-50H2,1-3H3,(H,51,64)(H,52,60)(H,53,62)(H,54,59)(H,55,61)(H,56,63)(H,66,67)/t28-,34-,35-,36-,37-,38-,39-,40-/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