Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50393205'   

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))	BDBM50393205 (CHEMBL2153744) Show SMILES CCOC(=O)CNC(=O)c1ccc(OP(=O)(Oc2ccc(cc2)C(=O)NCC(=O)OCC)C2CCCN2C(=O)[C@@H]2CCCN2)cc1 |r| Show InChI InChI=1S/C31H39N4O10P/c1-3-42-27(36)19-33-29(38)21-9-13-23(14-10-21)44-46(41,26-8-6-18-35(26)31(40)25-7-5-17-32-25)45-24-15-11-22(12-16-24)30(39)34-20-28(37)43-4-2/h9-16,25-26,32H,3-8,17-20H2,1-2H3,(H,33,38)(H,34,39)/t25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wroclaw University of Technology Curated by ChEMBL					Assay Description Inhibition of DPP4				J Med Chem 54: 5955-80 (2011) Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF
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