Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50225046'   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50225046 ((S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-1-(1H-iso...) Show SMILES N[C@H](C(=O)N1Cc2ccccc2C1)C12CC3CC(CC(O)(C3)C1)C2 |r,TLB:16:17:22:14.15.21,THB:16:15:22:23.17.18,18:19:14:23.17.16,18:17:14:19.22.21| Show InChI InChI=1S/C20H26N2O2/c21-17(18(23)22-10-15-3-1-2-4-16(15)11-22)19-6-13-5-14(7-19)9-20(24,8-13)12-19/h1-4,13-14,17,24H,5-12,21H2/t13?,14?,17-,19?,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6476-80 (2007) Article DOI: 10.1016/j.bmcl.2007.09.090 BindingDB Entry DOI: 10.7270/Q2B56JGM
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