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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 = 'BDBM50199492'   
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))		BDBM50199492
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,wU:7.10,wD:4.3,(22.92,-7.75,;22.93,-6.22,;24.47,-6.22,;21.39,-6.21,;22.93,-4.68,;24.27,-3.91,;24.28,-2.36,;22.95,-1.6,;21.61,-2.37,;21.6,-3.9,;22.95,-.06,;24.29,.71,;24.6,2.21,;26.46,2.18,;26.94,.72,;28.27,-.04,;28.28,-1.59,;26.94,-2.36,;25.61,-1.59,;25.62,-.06,;29.61,-2.36,;29.62,-3.9,;30.95,-1.59,;32.28,-2.35,;32.45,-3.88,;33.95,-4.2,;34.72,-2.86,;33.69,-1.72,;21.62,.71,;21.62,2.25,;20.28,-.06,;18.95,.71,;17.61,-.07,;16.28,.71,;16.28,2.25,;14.94,3.02,;14.94,4.56,;14.93,6.1,;16.48,4.57,;13.4,4.55,;17.6,3.02,;18.94,2.26,)|
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 296n/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