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SMILES: Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1

InChI Key: InChIKey=TWTCIDZQLCIDPO-LJQANCHMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50063930   
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))		BDBM50063930
PNG
(CHEMBL3400963)
Show SMILES Cl.Cc1oc(=O)oc1COC(=O)c1ccc2n(C)c(=O)c3n(Cc4ccccc4Cl)c(nc3c2c1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1S/C29H28ClN5O6/c1-16-23(41-29(38)40-16)15-39-27(37)17-9-10-22-20(12-17)24-25(26(36)33(22)2)35(13-18-6-3-4-8-21(18)30)28(32-24)34-11-5-7-19(31)14-34/h3-4,6,8-10,12,19H,5,7,11,13-15,31H2,1-2H3/t19-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Sumitomo Dainippon Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human DPP4

Bioorg Med Chem 23: 779-90 (2015)


Article DOI: 10.1016/j.bmc.2014.12.051
BindingDB Entry DOI: 10.7270/Q2XD13B7
More data for this
Ligand-Target Pair