Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50445377'   

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))	BDBM50445377 (CHEMBL3104643) 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)N[C@@H](C(c2ccccc2)c2ccccc2)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/C53H67N9O10S2/c1-31(2)44(53(71)72)61-51(69)42-30-74-73-29-41(59-46(64)32(3)55)50(68)58-40(27-33-15-7-4-8-16-33)49(67)62-45(43(35-17-9-5-10-18-35)36-19-11-6-12-20-36)52(70)56-38(21-13-14-26-54)47(65)57-39(48(66)60-42)28-34-22-24-37(63)25-23-34/h4-12,15-20,22-25,31-32,38-45,63H,13-14,21,26-30,54-55H2,1-3H3,(H,56,70)(H,57,65)(H,58,68)(H,59,64)(H,60,66)(H,61,69)(H,62,67)(H,71,72)/t32-,38-,39-,40-,41-,42-,44-,45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	277	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))	BDBM50445377 (CHEMBL3104643) 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)N[C@@H](C(c2ccccc2)c2ccccc2)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/C53H67N9O10S2/c1-31(2)44(53(71)72)61-51(69)42-30-74-73-29-41(59-46(64)32(3)55)50(68)58-40(27-33-15-7-4-8-16-33)49(67)62-45(43(35-17-9-5-10-18-35)36-19-11-6-12-20-36)52(70)56-38(21-13-14-26-54)47(65)57-39(48(66)60-42)28-34-22-24-37(63)25-23-34/h4-12,15-20,22-25,31-32,38-45,63H,13-14,21,26-30,54-55H2,1-3H3,(H,56,70)(H,57,65)(H,58,68)(H,59,64)(H,60,66)(H,61,69)(H,62,67)(H,71,72)/t32-,38-,39-,40-,41-,42-,44-,45-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	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)	BDBM50445377 (CHEMBL3104643) 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)N[C@@H](C(c2ccccc2)c2ccccc2)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/C53H67N9O10S2/c1-31(2)44(53(71)72)61-51(69)42-30-74-73-29-41(59-46(64)32(3)55)50(68)58-40(27-33-15-7-4-8-16-33)49(67)62-45(43(35-17-9-5-10-18-35)36-19-11-6-12-20-36)52(70)56-38(21-13-14-26-54)47(65)57-39(48(66)60-42)28-34-22-24-37(63)25-23-34/h4-12,15-20,22-25,31-32,38-45,63H,13-14,21,26-30,54-55H2,1-3H3,(H,56,70)(H,57,65)(H,58,68)(H,59,64)(H,60,66)(H,61,69)(H,62,67)(H,71,72)/t32-,38-,39-,40-,41-,42-,44-,45-/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)	BDBM50445377 (CHEMBL3104643) 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)N[C@@H](C(c2ccccc2)c2ccccc2)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/C53H67N9O10S2/c1-31(2)44(53(71)72)61-51(69)42-30-74-73-29-41(59-46(64)32(3)55)50(68)58-40(27-33-15-7-4-8-16-33)49(67)62-45(43(35-17-9-5-10-18-35)36-19-11-6-12-20-36)52(70)56-38(21-13-14-26-54)47(65)57-39(48(66)60-42)28-34-22-24-37(63)25-23-34/h4-12,15-20,22-25,31-32,38-45,63H,13-14,21,26-30,54-55H2,1-3H3,(H,56,70)(H,57,65)(H,58,68)(H,59,64)(H,60,66)(H,61,69)(H,62,67)(H,71,72)/t32-,38-,39-,40-,41-,42-,44-,45-/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