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SMILES: COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cc(C)ccc1C

InChI Key: InChIKey=ABNNSLREZPBYPJ-TYVLQRECSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309503   
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))		BDBM50309503
PNG
(CHEMBL601937 | rac-3-(2,5-dimethylphenyl)-9,10-dim...)
Show SMILES COc1cc2CCN3C[C@@H](C(N)C[C@H]3c2cc1OC)c1cc(C)ccc1C |r|
Show InChI InChI=1S/C23H30N2O2/c1-14-5-6-15(2)17(9-14)19-13-25-8-7-16-10-22(26-3)23(27-4)11-18(16)21(25)12-20(19)24/h5-6,9-11,19-21H,7-8,12-13,24H2,1-4H3/t19-,20?,21+/m1/s1
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Similars
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of DPP4

Bioorg Med Chem Lett 20: 1106-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.025
BindingDB Entry DOI: 10.7270/Q2SJ1KQ3
More data for this
Ligand-Target Pair