Affinity Data by PDB ID

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PDB code 2BUA

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%)^† (Sus scrofa (pig))	BDBM11555 ((1-phenylcyclopentyl)methanamine \| 1-METHYLAMINE-1...) Show SMILES NCC1(CCCC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3.00E+4	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 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM11555 ((1-phenylcyclopentyl)methanamine \| 1-METHYLAMINE-1...) Show SMILES NCC1(CCCC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.30E+4	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 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM11555 ((1-phenylcyclopentyl)methanamine \| 1-METHYLAMINE-1...) Show SMILES NCC1(CCCC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Binding affinity to DPP4				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
Astex Therapeutics Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM11555 ((1-phenylcyclopentyl)methanamine \| 1-METHYLAMINE-1...) Show SMILES NCC1(CCCC1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Santhera Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of DPP4				Bioorg Med Chem Lett 16: 1405-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.038 BindingDB Entry DOI: 10.7270/Q25M659R
Santhera Pharmaceuticals Curated by ChEMBL					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