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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50185138   
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


(Homo sapiens (Human))		BDBM50185138
PNG
(CHEMBL3822950)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1S/C46H62N10O13S3/c1-27(2)39(46(66)67)53-44(64)37-26-71-70-25-36(51-40(60)32(48)23-38(58)59)43(63)50-35(21-28-11-5-3-6-12-28)45(65)54-56(24-30-13-7-4-8-14-30)72(68,69)55-33(15-9-10-20-47)41(61)49-34(42(62)52-37)22-29-16-18-31(57)19-17-29/h3-8,11-14,16-19,27,32-37,39,55,57H,9-10,15,20-26,47-48H2,1-2H3,(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,53,64)(H,54,65)(H,58,59)(H,66,67)/t32-,33-,34-,35-,36-,37-,39-/m0/s1
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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay

J Med Chem 59: 4740-52 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00108
BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair