BindingDB PrimarySearch

BDBM50050521 (2-Dihydroxyborane-pyrrolidin-1-yl)-pyrrolidin-2-yl-methanone(PBP)::(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE::Boronic acid derivative::CHEMBL63895

SMILES: OB(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1

InChI Key: InChIKey=XSBZZZGVAIXJLD-YUMQZZPRSA-N

Data: 1 KI 6 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50050521
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dipeptidyl peptidase 4 (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 (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)
Aminopeptidase (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Inhibitory activity against aminopeptidase N assayed by the L-Ala-MCA method.				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
Dipeptidyl peptidase 4 (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 (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)
Dipeptidyl peptidase 4 (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 2 (DPP II) (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibition of Dipeptidylpeptidase II				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