Identical Ligands in BindingDB

Found 5 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))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r| Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/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	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DPP4				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (727/728 > 99%)† (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r| Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/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	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human endogenous DPP4 in presence of 50% human serum				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (615/727 = 85%)† (Mus musculus)	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r| Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of C57BL/6N mouse DPP4				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (727/728 > 99%)† (Homo sapiens (Human))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r| Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/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	67	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))	BDBM50296490 ((7R,8R)-8-(2,4,5-Trifluoro-phenyl)-6,7,8,9-tetrahy...) Show SMILES N[C@H]1Cn2c(C[C@@H]1c1cc(F)c(F)cc1F)nc1cnccc21 |r| Show InChI InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/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	n/a	n/a	112	n/a	n/a	n/a	n/a
Merck& Co. Inc. Curated by ChEMBL					Assay Description Inhibition of human DPP4 activity by continuous fluorometric assay				Bioorg Med Chem Lett 19: 4097-101 (2009) Article DOI: 10.1016/j.bmcl.2009.06.011 BindingDB Entry DOI: 10.7270/Q2513Z7C
					More data for this Ligand-Target Pair				3D Structure (crystal)

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