Identical Ligands in BindingDB

Found 4 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   (617/729 = 85%)† (Homo sapiens (Human))	BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (617/729 = 85%)† (Homo sapiens (Human))	BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Biochemistry 45: 7474-82 (2006) Article DOI: 10.1021/bi060184f BindingDB Entry DOI: 10.7270/Q2P26WCG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (730/730 = 100%)† (Rattus norvegicus (rat))	BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 16: 6226-30 (2006) Article DOI: 10.1016/j.bmcl.2006.09.024 BindingDB Entry DOI: 10.7270/Q2MP51H4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (730/730 = 100%)† (Rattus norvegicus (rat))	BDBM11645 (2-{[8-(3-aminopiperidin-1-yl)-1,3-dimethyl-2,6-dio...) Show SMILES Cn1c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2c(=O)n(C)c1=O Show InChI InChI=1S/C20H23N7O2/c1-24-17-16(18(28)25(2)20(24)29)27(11-14-7-4-3-6-13(14)10-21)19(23-17)26-9-5-8-15(22)12-26/h3-4,6-7,15H,5,8-9,11-12,22H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	-48.2	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Biochemistry 45: 7474-82 (2006) Article DOI: 10.1021/bi060184f BindingDB Entry DOI: 10.7270/Q2P26WCG
					More data for this Ligand-Target Pair				3D Structure (crystal)

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