Identical Ligands in BindingDB

Found 8 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	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (Homo sapiens (Human))	BDBM50118952 (2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...) Show SMILES CC(C)C(N)C(=O)N1CCCC1 Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	548	n/a	n/a	n/a	n/a	4.0	n/a
TBA US Patent					Assay Description The proteolytic enzyme, Dipeptidyle Peptidase IV (DppIV) was monitored in vitro by the substrate Gly-Pro 4-methoxy-β-naphthylamide while in the ...				US Patent US9115082 (2015) BindingDB Entry DOI: 10.7270/Q2JS9P7B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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	3.00E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (Homo sapiens (Human))	BDBM50118952 (2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one | C...) Show SMILES CC(C)C(N)C(=O)N1CCCC1 Show InChI InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article 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 Inhibitory activity against Dipeptidylpeptidase IV (DPP IV)				J Med Chem 46: 5005-14 (2003) Article DOI: 10.1021/jm0308803 BindingDB Entry DOI: 10.7270/Q2W37X2F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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	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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4   (728/728 = 100%)† (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 InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1	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	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
					More data for this Ligand-Target Pair				3D Structure (crystal)

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