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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 2' and Ligand = 'BDBM50069090'   
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
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50069090
PNG
(CHEMBL3403506)
Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1S/C29H29N3O5/c1-36-23-14-9-15-24(37-2)26(23)22-18-25(30-27(33)29(28(34)35)16-6-3-7-17-29)31-32(22)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,34,35)(H,30,31,33)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair