Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50320458'   

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)	BDBM50320458 (AA[CFWKYC]V | CHEMBL1165735) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)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/C52H69N11O11S2/c1-28(2)43(52(73)74)63-51(72)42-27-76-75-26-41(61-45(66)30(4)56-44(65)29(3)54)50(71)59-38(22-31-12-6-5-7-13-31)47(68)60-40(24-33-25-55-36-15-9-8-14-35(33)36)49(70)57-37(16-10-11-21-53)46(67)58-39(48(69)62-42)23-32-17-19-34(64)20-18-32/h5-9,12-15,17-20,25,28-30,37-43,55,64H,10-11,16,21-24,26-27,53-54H2,1-4H3,(H,56,65)(H,57,70)(H,58,67)(H,59,71)(H,60,68)(H,61,66)(H,62,69)(H,63,72)(H,73,74)/t29-,30-,37-,38-,39-,40-,41-,42-,43-/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	0.600	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
					More data for this Ligand-Target Pair