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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Urotensin-2 receptor' and Ligand = 'BDBM50320464'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Urotensin-2 receptor


(RAT)		BDBM50320464
PNG
(CHEMBL1163473 | [CFWKYC]V)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](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/C46H59N9O9S2/c1-26(2)39(46(63)64)55-45(62)38-25-66-65-24-32(48)40(57)51-35(20-27-10-4-3-5-11-27)42(59)53-37(22-29-23-49-33-13-7-6-12-31(29)33)44(61)50-34(14-8-9-19-47)41(58)52-36(43(60)54-38)21-28-15-17-30(56)18-16-28/h3-7,10-13,15-18,23,26,32,34-39,49,56H,8-9,14,19-22,24-25,47-48H2,1-2H3,(H,50,61)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,55,62)(H,63,64)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 0.760n/an/an/an/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