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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neurotensin receptor type 2' and Ligand = 'BDBM50023627'   
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)
BDBM50023627
PNG
(CHEMBL3326832)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O |r|
Show InChI InChI=1S/C23H27N3O5S/c1-15(2)12-20(23(28)29)24-22(27)14-26-11-10-17-13-18(6-9-21(17)26)25-32(30,31)19-7-4-16(3)5-8-19/h4-11,13,15,20,25H,12,14H2,1-3H3,(H,24,27)(H,28,29)/t20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Rattus norvegicus)
BDBM50023627
PNG
(CHEMBL3326832)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O |r|
Show InChI InChI=1S/C23H27N3O5S/c1-15(2)12-20(23(28)29)24-22(27)14-26-11-10-17-13-18(6-9-21(17)26)25-32(30,31)19-7-4-16(3)5-8-19/h4-11,13,15,20,25H,12,14H2,1-3H3,(H,24,27)(H,28,29)/t20-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.32E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as inhibition of SR142948a-induced calcium mobilization by FLIPR assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair