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Compile Data Set for Download or QSAR

Found 2 hits from Durham University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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PC sid
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Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Durham University

Curated by ChEMBL


Assay Description
Displacement of [125I]NT from rat NTR1 transfected in mouse LTK cells


Bioorg Med Chem 21: 4378-87 (2013)


Article DOI: 10.1016/j.bmc.2013.04.075
BindingDB Entry DOI: 10.7270/Q27M09B6
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Durham University

Curated by ChEMBL


Assay Description
Binding affinity to NTR3 (unknown origin)


Bioorg Med Chem 21: 4378-87 (2013)


Article DOI: 10.1016/j.bmc.2013.04.075
BindingDB Entry DOI: 10.7270/Q27M09B6
More data for this
Ligand-Target Pair