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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastric inhibitory polypeptide receptor' and Ligand = 'BDBM50199487'   
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))		BDBM50199487
PNG
(1-(5-((2H-tetrazol-5-yl)carbamoyl)-2,3-dihydro-1H-...)
Show SMILES CC(C)(C)[C@@H]1CC[C@@H](CC1)N(C1CCc2cc(ccc12)C(=O)Nc1nnn[nH]1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |w:11.11,wD:4.3,7.10,(23.95,-19.68,;23.96,-18.14,;25.5,-18.15,;22.42,-18.14,;23.96,-16.6,;22.63,-15.83,;22.63,-14.29,;23.98,-13.53,;25.3,-14.29,;25.3,-15.83,;23.98,-11.99,;25.31,-11.22,;25.63,-9.72,;27.49,-9.75,;27.97,-11.21,;29.3,-11.97,;29.31,-13.52,;27.97,-14.29,;26.64,-13.52,;26.65,-11.98,;30.64,-14.28,;30.64,-15.82,;31.97,-13.51,;33.31,-14.28,;33.47,-15.81,;34.98,-16.12,;35.75,-14.79,;34.71,-13.65,;22.64,-11.22,;22.64,-9.68,;21.31,-11.99,;19.98,-11.22,;18.63,-11.99,;17.3,-11.22,;17.3,-9.68,;15.97,-8.91,;15.97,-7.37,;15.96,-5.83,;17.51,-7.36,;14.43,-7.38,;18.63,-8.91,;19.97,-9.67,)|
Show InChI InChI=1S/C29H34F3N7O3/c1-28(2,3)19-6-10-21(11-7-19)39(27(41)33-20-8-12-22(13-9-20)42-29(30,31)32)24-15-5-17-16-18(4-14-23(17)24)25(40)34-26-35-37-38-36-26/h4,8-9,12-14,16,19,21,24H,5-7,10-11,15H2,1-3H3,(H,33,41)(H2,34,35,36,37,38,40)/t19-,21+,24?
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n/an/a 435n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human GIP receptor transfected in CHO cells assessed as inhibition of glucagon-induced cAMP accumulation

Bioorg Med Chem Lett 17: 587-92 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.014
BindingDB Entry DOI: 10.7270/Q2N58M0Q
More data for this
Ligand-Target Pair