Affinity Data by PDB ID

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PDB code 2AJD

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro test for inhibitory activity against human dipeptidyl peptidase IV.				Bioorg Med Chem Lett 6: 1163-1166 (1996) Article DOI: 10.1016/0960-894X(96)00190-4 BindingDB Entry DOI: 10.7270/Q279455Q
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	2.0	n/a
Trustees of Tufts College US Patent					Assay Description The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...				US Patent US8933056 (2015) BindingDB Entry DOI: 10.7270/Q2ST7NJQ
Trustees of Tufts College US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Dipeptidylpeptidase IV.				J Med Chem 39: 2087-94 (1996) Article DOI: 10.1021/jm950732f BindingDB Entry DOI: 10.7270/Q29Z95K5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	8.0	n/a
Trustees of Tufts College US Patent					Assay Description The inhibitor solution is prepared by dissolving 3-5 mg of inhibitor in pH 2 solution (0.01 N HCl), such that the concentration of the solution is eq...				US Patent US8933056 (2015) BindingDB Entry DOI: 10.7270/Q2ST7NJQ
Trustees of Tufts College US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (642/728 = 88%)^† (Homo sapiens (Human))	BDBM50050521 ((2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-y...) Show SMILES OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against dipeptidyl peptidase IV (DPP- IV)				J Med Chem 41: 263-5 (1998) Article DOI: 10.1021/jm970624o BindingDB Entry DOI: 10.7270/Q24X5BJC
University of Tokyo 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