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Compile Data Set for Download or QSAR

Found 2 hits of ki for UniProtKB: P32301   
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
Glucagon-like peptide 1 receptor


(Rattus norvegicus)
BDBM50260245
PNG
(1,3-bis(4-(cyclopentanecarboxamido)benzamido)-2,4-...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)C3CCCC3)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)C2CCCC2)cc1)C(O)=O)C(O)=O |(19.44,-26.93,;20.21,-28.27,;21.75,-28.28,;22.52,-26.96,;24.06,-26.97,;24.82,-28.29,;24.05,-29.61,;22.51,-29.61,;21.73,-30.95,;20.19,-30.94,;19.42,-29.6,;19.42,-32.27,;17.89,-32.43,;17.57,-33.94,;18.9,-34.71,;20.05,-33.68,;24.06,-25.41,;25.6,-25.41,;25.61,-26.96,;26.95,-27.73,;28.49,-27.71,;26.94,-29.26,;25.61,-30.03,;25.6,-31.57,;26.92,-32.34,;26.92,-33.88,;25.59,-34.65,;24.26,-33.87,;25.58,-36.19,;24.34,-37.09,;24.8,-38.56,;26.34,-38.56,;26.82,-37.1,;28.27,-31.57,;28.27,-30.04,;25.6,-23.87,;25.59,-22.31,;24.82,-21,;25.59,-19.67,;27.13,-19.66,;27.89,-18.33,;29.43,-18.32,;30.21,-19.66,;30.2,-16.99,;31.73,-16.82,;32.05,-15.32,;30.71,-14.54,;29.56,-15.58,;27.89,-20.99,;29.43,-20.99,;30.21,-22.32,;27.13,-22.32,;24.06,-23.86,;24.04,-22.32,;22.69,-21.56,;21.15,-21.58,;22.69,-20.03,;24.01,-19.25,;24.01,-17.71,;22.68,-16.95,;22.68,-15.41,;24,-14.63,;25.34,-15.4,;24,-13.09,;25.24,-12.18,;24.76,-10.71,;23.22,-10.72,;22.75,-12.19,;21.34,-17.72,;21.35,-19.26,;22.52,-23.86,;21.75,-22.53,;21.74,-25.19,;27.15,-25.43,;27.9,-26.77,;27.93,-24.1,)|
Show InChI InChI=1S/C56H52N4O14S2/c1-71-41-29-35(19-25-39(41)73-51(65)43-13-7-27-75-43)45-55(53(67)68,59-49(63)33-15-21-37(22-16-33)57-47(61)31-9-3-4-10-31)46(36-20-26-40(42(30-36)72-2)74-52(66)44-14-8-28-76-44)56(45,54(69)70)60-50(64)34-17-23-38(24-18-34)58-48(62)32-11-5-6-12-32/h7-8,13-32,45-46H,3-6,9-12H2,1-2H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,67,68)(H,69,70)
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Article
PubMed
287n/an/an/an/an/an/an/an/a



National Center for Drug Screening

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP1 from rat GLP1 receptor expressed in HEK293 cells


Proc Natl Acad Sci U S A 104: 943-8 (2007)


Article DOI: 10.1073/pnas.0610173104
BindingDB Entry DOI: 10.7270/Q2TM79VV
More data for this
Ligand-Target Pair
Glucagon-like peptide 1 receptor


(Rattus norvegicus)
BDBM50260246
PNG
(1,3-bis(4-(tert-butoxycarbonyl)benzamido)-2,4-bis(...)
Show SMILES COc1cc(ccc1OC(=O)c1cccs1)C1C(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)(C(c2ccc(OC(=O)c3cccs3)c(OC)c2)C1(NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C(O)=O)C(O)=O |(.32,-12.51,;1.08,-13.85,;2.62,-13.86,;3.39,-12.53,;4.93,-12.54,;5.69,-13.87,;4.93,-15.19,;3.38,-15.19,;2.61,-16.52,;1.07,-16.52,;.3,-15.18,;.3,-17.85,;-1.23,-18.01,;-1.55,-19.51,;-.22,-20.29,;.93,-19.26,;4.93,-10.99,;4.93,-9.45,;4.92,-7.9,;3.56,-7.14,;2.02,-7.16,;3.56,-5.61,;4.89,-4.84,;4.89,-3.3,;3.55,-2.53,;3.55,-.99,;4.88,-.21,;6.22,-.98,;4.87,1.33,;6.21,2.1,;7.53,2.89,;6.99,.77,;5.43,3.43,;2.22,-3.31,;2.23,-4.85,;6.47,-9.45,;6.46,-7.9,;5.7,-6.57,;6.46,-5.25,;8,-5.24,;8.77,-3.91,;10.31,-3.9,;11.08,-5.24,;11.07,-2.57,;12.6,-2.4,;12.92,-.9,;11.58,-.13,;10.44,-1.16,;8.77,-6.57,;10.31,-6.57,;11.08,-7.91,;8,-7.9,;6.47,-10.99,;6.48,-12.53,;7.83,-13.3,;9.37,-13.29,;7.82,-14.84,;6.48,-15.6,;6.47,-17.14,;7.8,-17.92,;7.8,-19.46,;6.46,-20.22,;5.13,-19.45,;6.45,-21.76,;5.12,-22.53,;3.77,-23.29,;5.88,-23.87,;4.36,-21.19,;9.14,-17.14,;9.15,-15.61,;8.02,-11.01,;8.77,-12.35,;8.8,-9.68,;3.39,-9.44,;2.62,-8.1,;2.61,-10.77,)|
Show InChI InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66)
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PDB
Article
PubMed
1.47E+3n/an/an/an/an/an/an/an/a



National Center for Drug Screening

Curated by ChEMBL


Assay Description
Displacement of [125I]GLP1 from rat GLP1 receptor expressed in HEK293 cells


Proc Natl Acad Sci U S A 104: 943-8 (2007)


Article DOI: 10.1073/pnas.0610173104
BindingDB Entry DOI: 10.7270/Q2TM79VV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)