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SMILES: OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(CCN3CCCC3)c2c1

InChI Key: InChIKey=ONRAZBTXMWOXIX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50441100   
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
Delta-aminolevulinic acid dehydratase


(Homo sapiens (Human))		BDBM50441100
PNG
(CHEMBL2430572)
Show SMILES OC(=O)c1ccc2n(Cc3ccc(F)cc3)c(=O)n(CCN3CCCC3)c2c1
Show InChI InChI=1S/C21H22FN3O3/c22-17-6-3-15(4-7-17)14-25-18-8-5-16(20(26)27)13-19(18)24(21(25)28)12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12,14H2,(H,26,27)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University Hospital of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human ALADH after 20 mins

Bioorg Med Chem Lett 23: 5558-62 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.052
BindingDB Entry DOI: 10.7270/Q2FQ9Z2S
More data for this
Ligand-Target Pair