Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50320294'   

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))	BDBM50320294 ((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...) Show SMILES CN(C)C(=O)N1C[C@H]2C[C@@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H29N5O2/c1-18(20-10-16(24)23-6-4-5-15(23)9-19)7-13-11-22(12-14(13)8-18)17(25)21(2)3/h13-15,20H,4-8,10-12H2,1-3H3/t13-,14+,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50320294 ((3aR,5beta,6aS)-5-(2-((S)-2-cyanopyrrolidin-1-yl)-...) Show SMILES CN(C)C(=O)N1C[C@H]2C[C@@](C)(C[C@H]2C1)NCC(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H29N5O2/c1-18(20-10-16(24)23-6-4-5-15(23)9-19)7-13-11-22(12-14(13)8-18)17(25)21(2)3/h13-15,20H,4-8,10-12H2,1-3H3/t13-,14+,15-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Hengrui Pharmaceuticals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 20: 3565-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.120 BindingDB Entry DOI: 10.7270/Q2P55NQQ
					More data for this Ligand-Target Pair