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PubMed code 18849166

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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 1


(Homo sapiens (Human))
BDBM50293183
PNG
((R)-4-methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-...)
Show SMILES CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12)C(O)=O |r|
Show InChI InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m1/s1
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PubMed
545n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 cells after 60 mins by beta plate liquid scintillation counter


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50293183
PNG
((R)-4-methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-...)
Show SMILES CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12)C(O)=O |r|
Show InChI InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m1/s1
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n/an/a 3.76n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium elevation pretreated 30 mins befo...


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50034787
PNG
(2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-meth...)
Show SMILES CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
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n/an/a 3.79n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium elevation pretreated 30 mins befo...


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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n/an/a 6.03n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as inhibition of intracellular calcium elevation pretreated 30 mins befo...


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50293183
PNG
((R)-4-methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-...)
Show SMILES CC(C)C[C@@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12)C(O)=O |r|
Show InChI InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m1/s1
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n/an/an/an/a 1.78E+5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50034787
PNG
(2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-meth...)
Show SMILES CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
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n/an/an/an/a 2.16E+5n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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n/an/an/an/a 310n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells assessed as increase in intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 5789-91 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.075
BindingDB Entry DOI: 10.7270/Q24X57S8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%