BDBM15464 4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide::aryl ketone deriv. 1

SMILES: C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1

InChI Key: InChIKey=OIWWNWQZJJKBTR-CYBMUJFWSA-N

Data: 2 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 2 hits for monomerid = 15464   

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))	BDBM15464 (4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}bu...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of dipeptidyl peptidase 4 (unknown origin)				Citation and Details Article DOI: 10.1007/s00044-012-0455-6 BindingDB Entry DOI: 10.7270/Q2HH6NZ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM15464 (4-[(3R)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}bu...) Show SMILES C[C@H](CCc1ccc(cc1)C(N)=O)NCC(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The DPP activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 355 nm and meas...				Bioorg Med Chem Lett 17: 1765-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.074 BindingDB Entry DOI: 10.7270/Q247483F
					More data for this Ligand-Target Pair				3D Structure (crystal)