BDBM50226089 CHEMBL399247::[(3R,4R)-4-amino-1-(benzothiazole-6-carbonyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone

SMILES: N[C@H]1CN(C[C@H]1C(=O)N1CCCC1)C(=O)c1ccc2ncsc2c1

InChI Key: InChIKey=ZAUSYVOHDJOJCH-OLZOCXBDSA-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 = 50226089   

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 VIII (Homo sapiens (Human))	BDBM50226089 (CHEMBL399247 | [(3R,4R)-4-amino-1-(benzothiazole-6...) Show SMILES N[C@H]1CN(C[C@H]1C(=O)N1CCCC1)C(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C17H20N4O2S/c18-13-9-21(8-12(13)17(23)20-5-1-2-6-20)16(22)11-3-4-14-15(7-11)24-10-19-14/h3-4,7,10,12-13H,1-2,5-6,8-9,18H2/t12-,13+/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP8				Bioorg Med Chem Lett 17: 6707-13 (2007) Article DOI: 10.1016/j.bmcl.2007.10.063 BindingDB Entry DOI: 10.7270/Q2ZS2W8B
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50226089 (CHEMBL399247 | [(3R,4R)-4-amino-1-(benzothiazole-6...) Show SMILES N[C@H]1CN(C[C@H]1C(=O)N1CCCC1)C(=O)c1ccc2ncsc2c1 Show InChI InChI=1S/C17H20N4O2S/c18-13-9-21(8-12(13)17(23)20-5-1-2-6-20)16(22)11-3-4-14-15(7-11)24-10-19-14/h3-4,7,10,12-13H,1-2,5-6,8-9,18H2/t12-,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of human DPP4				Bioorg Med Chem Lett 17: 6707-13 (2007) Article DOI: 10.1016/j.bmcl.2007.10.063 BindingDB Entry DOI: 10.7270/Q2ZS2W8B
					More data for this Ligand-Target Pair