Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50543459'   

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))	BDBM50543459 (CHEMBL4643905) Show SMILES [H][C@]1(CSSC[C@]([H])(NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(cc2)C#Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](C(C)C)C(O)=O |r| Show InChI InChI=1S/C55H67N9O10S2/c1-33(2)47(55(73)74)64-54(72)46-32-76-75-31-45(62-48(66)34(3)57)53(71)61-42(28-37-14-8-5-9-15-37)51(69)60-43(29-38-21-19-36(20-22-38)18-17-35-12-6-4-7-13-35)50(68)58-41(16-10-11-27-56)49(67)59-44(52(70)63-46)30-39-23-25-40(65)26-24-39/h4-9,12-15,19-26,33-34,41-47,65H,10-11,16,27-32,56-57H2,1-3H3,(H,58,68)(H,59,67)(H,60,69)(H,61,71)(H,62,66)(H,63,70)(H,64,72)(H,73,74)/t34-,41-,42-,43+,44-,45-,46-,47-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Antagonist activity at human UT receptor expressed in HEK293 cells using Na [125I] incubated for 2 hrs by gamma counting method				ACS Med Chem Lett 11: 1717-1722 (2020) Article DOI: 10.1021/acsmedchemlett.0c00223 BindingDB Entry DOI: 10.7270/Q269775C
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