Affinity Data by PDB ID

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PDB code 2BUB

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (728/728 = 100%)^† (Homo sapiens (Human))	BDBM11559 (N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.4	25
Santhera Pharmaceuticals					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...				Bioorg Med Chem Lett 16: 1744-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.103 BindingDB Entry DOI: 10.7270/Q2639MZX
Santhera Pharmaceuticals					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (728/728 = 100%)^† (Homo sapiens (Human))	BDBM11559 (N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	90	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
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (728/728 = 100%)^† (Homo sapiens (Human))	BDBM11559 (N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals (Switzerland) Ltd Curated by ChEMBL					Assay Description Inhibition of DPP4 by continuous fluorimetric assay				Bioorg Med Chem Lett 19: 4201-3 (2009) Article DOI: 10.1016/j.bmcl.2009.05.109 BindingDB Entry DOI: 10.7270/Q24749XM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Sus scrofa (pig))	BDBM11559 (N-({(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	7.4	25
Santhera Pharmaceuticals					Assay Description The DPP4 activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 370 nm and mea...				Bioorg Med Chem Lett 16: 1744-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.103 BindingDB Entry DOI: 10.7270/Q2639MZX
Santhera Pharmaceuticals					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output