Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50320459'   

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 (RAT)	BDBM50320459 (AD[CAWKYC]V | CHEMBL1165764) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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/C47H65N11O13S2/c1-23(2)38(47(70)71)58-46(69)36-22-73-72-21-35(56-44(67)34(19-37(60)61)53-39(62)24(3)49)45(68)51-25(4)40(63)54-33(18-27-20-50-30-10-6-5-9-29(27)30)43(66)52-31(11-7-8-16-48)41(64)55-32(42(65)57-36)17-26-12-14-28(59)15-13-26/h5-6,9-10,12-15,20,23-25,31-36,38,50,59H,7-8,11,16-19,21-22,48-49H2,1-4H3,(H,51,68)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H,56,67)(H,57,65)(H,58,69)(H,60,61)(H,70,71)/t24-,25-,31-,32-,33-,34-,35-,36-,38-/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	6.5	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
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