BDBM50140514 CHEMBL23879::N-{4-[(S)-1-Amino-2-((R)-3-fluoro-pyrrolidin-1-yl)-2-oxo-ethyl]-cyclohexyl}-2-trifluoromethyl-benzamide

SMILES: N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](F)C1

InChI Key: InChIKey=QLZXPKYWMKTROZ-WBOJAVRRSA-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 = 50140514   

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))	BDBM50140514 (CHEMBL23879 | N-{4-[(S)-1-Amino-2-((R)-3-fluoro-py...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,26.28,wD:2.7,(6.77,-10.92,;6.77,-9.36,;5.44,-8.59,;5.44,-7.05,;4.11,-6.28,;2.78,-7.05,;2.78,-8.59,;4.11,-9.36,;1.43,-6.26,;.1,-7.03,;.1,-8.57,;-1.23,-6.26,;-1.23,-4.71,;-2.56,-3.94,;-3.91,-4.71,;-3.91,-6.26,;-2.57,-7.03,;-2.57,-8.57,;-4.11,-8.57,;-1.03,-8.57,;-2.57,-10.11,;8.1,-8.59,;8.1,-7.05,;9.45,-9.36,;10.79,-8.59,;11.93,-9.64,;11.3,-11.04,;12.07,-12.4,;9.78,-10.88,)| Show InChI InChI=1S/C20H25F4N3O2/c21-13-9-10-27(11-13)19(29)17(25)12-5-7-14(8-6-12)26-18(28)15-3-1-2-4-16(15)20(22,23)24/h1-4,12-14,17H,5-11,25H2,(H,26,28)/t12-,13-,14-,17+/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human Dipeptidyl-peptidase IV				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II) (Homo sapiens (Human))	BDBM50140514 (CHEMBL23879 | N-{4-[(S)-1-Amino-2-((R)-3-fluoro-py...) Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)c1ccccc1C(F)(F)F)C(=O)N1CC[C@@H](F)C1 |wU:5.8,1.0,26.28,wD:2.7,(6.77,-10.92,;6.77,-9.36,;5.44,-8.59,;5.44,-7.05,;4.11,-6.28,;2.78,-7.05,;2.78,-8.59,;4.11,-9.36,;1.43,-6.26,;.1,-7.03,;.1,-8.57,;-1.23,-6.26,;-1.23,-4.71,;-2.56,-3.94,;-3.91,-4.71,;-3.91,-6.26,;-2.57,-7.03,;-2.57,-8.57,;-4.11,-8.57,;-1.03,-8.57,;-2.57,-10.11,;8.1,-8.59,;8.1,-7.05,;9.45,-9.36,;10.79,-8.59,;11.93,-9.64,;11.3,-11.04,;12.07,-12.4,;9.78,-10.88,)| Show InChI InChI=1S/C20H25F4N3O2/c21-13-9-10-27(11-13)19(29)17(25)12-5-7-14(8-6-12)26-18(28)15-3-1-2-4-16(15)20(22,23)24/h1-4,12-14,17H,5-11,25H2,(H,26,28)/t12-,13-,14-,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme				Bioorg Med Chem Lett 14: 1265-8 (2004) Article DOI: 10.1016/j.bmcl.2003.12.040 BindingDB Entry DOI: 10.7270/Q2G73D5Q
					More data for this Ligand-Target Pair