Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50150861'   

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 (Rattus norvegicus (rat))	BDBM50150861 (2-[2-(Adamantan-2-ylamino)-acetyl]-3,4-dihydro-2H-...) Show SMILES O=C(CNC1C2CC3CC(C2)CC1C3)N1N=CCC1C#N |c:18,TLB:3:4:11:7.13.8,6:7:11:5.4.10,THB:8:9:4:7.6.13,8:7:4:9.11.10,6:5:11:7.13.8,(1.29,-2.85,;1.68,-1.47,;.76,-.4,;-.54,-.88,;-1.71,.08,;-3.29,-.19,;-4.09,-1.22,;-4.09,.15,;-4.89,1.64,;-4,2.95,;-4.21,1.53,;-2.47,2.9,;-1.76,1.55,;-2.56,.36,;3.21,-1.52,;4.08,-2.82,;5.6,-2.39,;5.64,-.83,;4.15,-.28,;3.74,1.21,;3.28,2.69,)| Show InChI InChI=1S/C16H22N4O/c17-8-14-1-2-19-20(14)15(21)9-18-16-12-4-10-3-11(6-12)7-13(16)5-10/h2,10-14,16,18H,1,3-7,9H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibitory concentration against rat dipeptidyl peptidase IV				Bioorg Med Chem Lett 14: 4461-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.046 BindingDB Entry DOI: 10.7270/Q2J9674N
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