BindingDB PrimarySearch

BDBM50178428 (S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-one::2-AMINO-3-METHYL-1-PYRROLIDIN-1-YL-BUTAN-1-ONE::CHEMBL383705

SMILES: CC(C)[C@H](N)C(=O)N1CCCC1

InChI Key: InChIKey=IHBAVXVTGLANPI-QMMMGPOBSA-N

Data: 2 KI 12 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50178428
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))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of platelet glycoprotein alpha IIb beta3 integrin in ELISA				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))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.00E+3	n/a	n/a	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 (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin)				Bioorg Med Chem Lett 18: 4154-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.080 BindingDB Entry DOI: 10.7270/Q2G160N3
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP8 (unknown origin)				Bioorg Med Chem Lett 18: 4154-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.080 BindingDB Entry DOI: 10.7270/Q2G160N3
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP9 (unknown origin)				Bioorg Med Chem Lett 18: 4154-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.080 BindingDB Entry DOI: 10.7270/Q2G160N3
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of DPP2 (unknown origin)				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description In vitro inhibition of human Dipeptidylpeptidase IV.				Bioorg Med Chem Lett 12: 2825-8 (2002) BindingDB Entry DOI: 10.7270/Q279457M
University of Antwerp (UIA) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase VIII (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of DPP8 (unknown origin)				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase IV (Porphyromonas gingivalis)	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of human DPP4				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 9 (Bos taurus)	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Warwick Curated by ChEMBL					Assay Description Inhibition of bovine DPP9				Eur J Med Chem 139: 482-491 (2017) Article DOI: 10.1016/j.ejmech.2017.08.024 BindingDB Entry DOI: 10.7270/Q25B050P
University of Warwick Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of DPP2 (unknown origin)				Bioorg Med Chem Lett 18: 4154-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.080 BindingDB Entry DOI: 10.7270/Q2G160N3
University of Antwerp Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.00E+3	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)
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) (Homo sapiens (Human))	BDBM50178428 ((S)-2-amino-3-methyl-1-(pyrrolidin-1-yl)butan-1-on...) Show SMILES CC(C)[C@H](N)C(=O)N1CCCC1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp (UIA) Curated by ChEMBL					Assay Description In vitro inhibition of porcine Dipeptidylpeptidase II.				Bioorg Med Chem Lett 12: 2825-8 (2002) BindingDB Entry DOI: 10.7270/Q279457M
University of Antwerp (UIA) Curated by ChEMBL					More data for this Ligand-Target Pair