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SMILES: COc1cc2ccc3OC(C(N)Cc3c2cc1OC)c1ccc(F)cc1F

InChI Key: InChIKey=QYMNUCQDUIPZBQ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 420969   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))		BDBM420969
PNG
(US10479798, Compound 28)
Show SMILES COc1cc2ccc3OC(C(N)Cc3c2cc1OC)c1ccc(F)cc1F |w:10.10,9.21|
Show InChI InChI=1S/C21H19F2NO3/c1-25-19-7-11-3-6-18-15(14(11)10-20(19)26-2)9-17(24)21(27-18)13-5-4-12(22)8-16(13)23/h3-8,10,17,21H,9,24H2,1-2H3
PDB
MMDB

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n/an/a 56n/an/an/an/an/an/a



EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY; SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES

US Patent


Assay Description
Screening Method:Name of method: Activity Evaluation of DPP4, Fluorescence.Instrument: Microplate reader, Envision (PerkinElmer, USA).Material: human...

US Patent US10479798 (2019)


BindingDB Entry DOI: 10.7270/Q2377C4Z
More data for this
Ligand-Target Pair