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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gastric inhibitory polypeptide receptor' and Ligand = 'BDBM50171817'   
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
Gastric inhibitory polypeptide receptor


(Homo sapiens (Human))
BDBM50171817
PNG
(3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluorom...)
Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(6.78,6.58,;6.79,5.04,;8.33,5.04,;5.25,5.03,;6.79,3.5,;8.12,2.72,;8.12,1.19,;6.78,.42,;5.45,1.18,;5.45,2.73,;6.78,-1.12,;5.45,-1.89,;4.11,-1.12,;2.78,-1.9,;1.44,-1.12,;1.44,.42,;2.77,1.19,;4.11,.43,;.11,1.19,;.11,2.73,;-1.22,.42,;-2.56,1.19,;-3.89,.42,;-5.22,1.19,;-5.23,2.73,;-6.56,.42,;8.12,-1.89,;8.12,-3.43,;9.45,-1.12,;10.78,-1.88,;10.78,-3.42,;12.11,-4.19,;13.44,-3.42,;14.78,-4.19,;14.79,-5.73,;14.77,-7.26,;16.33,-5.73,;13.25,-5.72,;13.44,-1.87,;12.1,-1.11,)|
Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)
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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to human cloned GIPR expressed in BHK cells


J Med Chem 51: 5387-96 (2008)


Article DOI: 10.1021/jm7015599
BindingDB Entry DOI: 10.7270/Q2X34X9R
More data for this
Ligand-Target Pair
Gastric inhibitory polypeptide receptor


(Rattus norvegicus)
BDBM50171817
PNG
(3-(4-((1-(4-tert-butylcyclohexyl)-3-(4-(trifluorom...)
Show SMILES CC(C)(C)C1CCC(CC1)N(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 |(6.78,6.58,;6.79,5.04,;8.33,5.04,;5.25,5.03,;6.79,3.5,;8.12,2.72,;8.12,1.19,;6.78,.42,;5.45,1.18,;5.45,2.73,;6.78,-1.12,;5.45,-1.89,;4.11,-1.12,;2.78,-1.9,;1.44,-1.12,;1.44,.42,;2.77,1.19,;4.11,.43,;.11,1.19,;.11,2.73,;-1.22,.42,;-2.56,1.19,;-3.89,.42,;-5.22,1.19,;-5.23,2.73,;-6.56,.42,;8.12,-1.89,;8.12,-3.43,;9.45,-1.12,;10.78,-1.88,;10.78,-3.42,;12.11,-4.19,;13.44,-3.42,;14.78,-4.19,;14.79,-5.73,;14.77,-7.26,;16.33,-5.73,;13.25,-5.72,;13.44,-1.87,;12.1,-1.11,)|
Show InChI InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity to GIPR in rat liver membrane


J Med Chem 51: 5387-96 (2008)


Article DOI: 10.1021/jm7015599
BindingDB Entry DOI: 10.7270/Q2X34X9R
More data for this
Ligand-Target Pair