BDBM50146979 (S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one::CHEMBL319520

SMILES: CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1

InChI Key: InChIKey=POOPGRHMUPMLQW-VYIIXAMBSA-N

Data: 2 IC50

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 2 hits for monomerid = 50146979   

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 2 (DPP II) (Homo sapiens (Human))	BDBM50146979 ((S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-p...) Show SMILES CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H26ClN3O/c1-13-4-2-3-11-21(13)17(22)16(19)9-10-20-12-14-5-7-15(18)8-6-14/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13?,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl-peptidase II (DPP II)				J Med Chem 47: 2906-16 (2004) Article DOI: 10.1021/jm031122f BindingDB Entry DOI: 10.7270/Q2TH8M4H
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50146979 ((S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-p...) Show SMILES CC1CCCCN1C(=O)[C@@H](N)CCNCc1ccc(Cl)cc1 Show InChI InChI=1S/C17H26ClN3O/c1-13-4-2-3-11-21(13)17(22)16(19)9-10-20-12-14-5-7-15(18)8-6-14/h5-8,13,16,20H,2-4,9-12,19H2,1H3/t13?,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Antwerp Curated by ChEMBL					Assay Description Inhibition of human Dipeptidyl-peptidase IV (DPP IV)				J Med Chem 47: 2906-16 (2004) Article DOI: 10.1021/jm031122f BindingDB Entry DOI: 10.7270/Q2TH8M4H
					More data for this Ligand-Target Pair