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SMILES: NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1cc(ccc21)N1CCOCC1

InChI Key: InChIKey=KEEYJPHDGQFLMG-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 = 420958   
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))		BDBM420958
PNG
(US10479798, Compound 18)
Show SMILES NC1Cc2c(OC1c1cc(F)c(F)cc1F)ccc1cc(ccc21)N1CCOCC1 |w:6.7,1.0|
Show InChI InChI=1S/C23H21F3N2O2/c24-18-12-20(26)19(25)10-17(18)23-21(27)11-16-15-3-2-14(28-5-7-29-8-6-28)9-13(15)1-4-22(16)30-23/h1-4,9-10,12,21,23H,5-8,11,27H2
PDB
MMDB

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n/an/a 70n/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