BDBM50276045 (R)-3-Amino-4-(5-chloro-2-fluoro-phenyl)-N-{4-[6-(2-methoxy-ethoxy)-benzothiazol-2-yl]-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-yl}-butyramide::CHEMBL512651

SMILES: COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F

InChI Key: InChIKey=NNPQTJRIAUTXFQ-GOSISDBHSA-N

Data: 1 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 1 hit for monomerid = 50276045   

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))	BDBM50276045 ((R)-3-Amino-4-(5-chloro-2-fluoro-phenyl)-N-{4-[6-(...) Show SMILES COCCOc1ccc2nc(sc2c1)C1(CCS(=O)(=O)CC1)NC(=O)C[C@H](N)Cc1cc(Cl)ccc1F |r| Show InChI InChI=1S/C25H29ClFN3O5S2/c1-34-8-9-35-19-3-5-21-22(15-19)36-24(29-21)25(6-10-37(32,33)11-7-25)30-23(31)14-18(28)13-16-12-17(26)2-4-20(16)27/h2-5,12,15,18H,6-11,13-14,28H2,1H3,(H,30,31)/t18-/m1/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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Toray Industries Inc. Curated by ChEMBL					Assay Description Inhibition of human Caco2 cells-derived DPP4				Bioorg Med Chem Lett 18: 5435-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.042 BindingDB Entry DOI: 10.7270/Q2QV3MC8
					More data for this Ligand-Target Pair