Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

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   (727/728 > 99%)† (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University					Assay Description The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.				Chem Biol Drug Des 84: 364-77 (2014) Article DOI: 10.1111/cbdd.12327 BindingDB Entry DOI: 10.7270/Q2D21W96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (727/728 > 99%)† (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (727/728 > 99%)† (Homo sapiens (Human))	BDBM50212927 ((1S,2R,5S)-5-(3-(trifluoromethyl)-5,6-dihydro-[1,2...) Show SMILES N[C@H]1C[C@H](CC[C@@H]1c1cc(F)c(F)cc1F)N1CCn2c(C1)nnc2C(F)(F)F Show InChI InChI=1S/C18H19F6N5/c19-12-7-14(21)13(20)6-11(12)10-2-1-9(5-15(10)25)28-3-4-29-16(8-28)26-27-17(29)18(22,23)24/h6-7,9-10,15H,1-5,8,25H2/t9-,10+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 17: 3877-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.106 BindingDB Entry DOI: 10.7270/Q20K2884
					More data for this Ligand-Target Pair				3D Structure (crystal)

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