Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gastric inhibitory polypeptide' and Ligand = 'BDBM50244235'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Gastric inhibitory polypeptide (Homo sapiens (Human))	BDBM50244235 (CHEMBL480692 | trans-4-(((4-tert-butylcyclohexyl)(...) Show SMILES CCCOc1ccc2n(C)c(nc2c1)N(Cc1ccc(cc1)C(=O)Nc1nnn[nH]1)[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:30.33,wD:33.40,(15,-40.17,;14.2,-41.49,;14.94,-42.84,;14.14,-44.16,;14.88,-45.51,;14.07,-46.83,;14.81,-48.17,;16.34,-48.21,;17.35,-49.38,;16.57,-50.71,;18.77,-48.79,;18.65,-47.25,;17.15,-46.9,;16.41,-45.55,;20.1,-49.57,;20.09,-51.11,;21.42,-51.88,;22.75,-51.12,;24.08,-51.89,;24.07,-53.43,;22.73,-54.2,;21.4,-53.42,;25.4,-54.21,;25.39,-55.75,;26.74,-53.45,;28.07,-54.23,;28.59,-55.68,;30.13,-55.64,;30.57,-54.16,;29.3,-53.29,;21.43,-48.8,;21.43,-47.27,;22.78,-46.51,;24.11,-47.29,;24.09,-48.83,;22.76,-49.58,;25.45,-46.53,;26.77,-45.75,;26.22,-47.86,;24.68,-45.19,)| Show InChI InChI=1S/C30H40N8O2/c1-6-17-40-24-15-16-26-25(18-24)31-29(37(26)5)38(23-13-11-22(12-14-23)30(2,3)4)19-20-7-9-21(10-8-20)27(39)32-28-33-35-36-34-28/h7-10,15-16,18,22-23H,6,11-14,17,19H2,1-5H3,(H2,32,33,34,35,36,39)/t22-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against human GIP				Bioorg Med Chem Lett 18: 3701-5 (2008) Article DOI: 10.1016/j.bmcl.2008.05.072 BindingDB Entry DOI: 10.7270/Q26Q1X25
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