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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 = 'BDBM50244457'   
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))		BDBM50244457
PNG
((R)-trans-3-{4-[3-(3,5-Bis(trifluoromethyl)phenyl)...)
Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)N(Cc1ccc(cc1)C(=O)NC[C@@H](O)C(O)=O)C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,wU:4.3,22.24,wD:7.10,(4.8,4.42,;4.81,2.87,;6.35,2.88,;3.27,2.87,;4.8,1.33,;6.14,.56,;6.13,-.98,;4.8,-1.74,;3.46,-.98,;3.47,.56,;4.8,-3.28,;3.47,-4.05,;2.13,-3.29,;.79,-4.06,;-.54,-3.29,;-.54,-1.74,;.79,-.97,;2.12,-1.74,;-1.87,-.97,;-1.87,.57,;-3.21,-1.74,;-4.54,-.97,;-5.87,-1.74,;-5.87,-3.28,;-7.21,-.97,;-7.21,.57,;-8.54,-1.74,;6.13,-4.05,;6.13,-5.59,;7.46,-3.28,;8.8,-4.05,;10.12,-3.27,;11.45,-4.03,;11.46,-5.58,;10.13,-6.35,;8.79,-5.59,;10.13,-7.89,;10.12,-9.43,;11.67,-7.9,;8.59,-7.9,;12.78,-3.26,;14.11,-2.47,;13.56,-4.58,;12,-1.93,)|
Show InChI InChI=1S/C30H35F6N3O5/c1-28(2,3)19-8-10-23(11-9-19)39(16-17-4-6-18(7-5-17)25(41)37-15-24(40)26(42)43)27(44)38-22-13-20(29(31,32)33)12-21(14-22)30(34,35)36/h4-7,12-14,19,23-24,40H,8-11,15-16H2,1-3H3,(H,37,41)(H,38,44)(H,42,43)/t19-,23-,24-/m1/s1
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Article
PubMed
n/an/a 87n/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