BDBM50118952 2-Amino-3-methyl-1-pyrrolidin-1-yl-butan-1-one::CHEMBL16709::US9115082, 9

SMILES: CC(C)C(N)C(=O)N1CCCC1

InChI Key: InChIKey=IHBAVXVTGLANPI-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50118952   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dipeptidyl peptidase 4 (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 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 IV (Porphyromonas gingivalis)	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 UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+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
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (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 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 2 (DPP II) (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article 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 Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II)				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