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PubChem AID 1244

Compile data set for download or QSAR
Found 1 hit of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Nuclear receptor subfamily 4 group A member 1


(Homo sapiens (Human))		BDBM42115
PNG
(5-bromanyl-2-(2,5-dimethylpyrrol-1-yl)benzoic acid...)
Show SMILES Cc1ccc(C)n1-c1ccc(Br)cc1C(O)=O |(10.11,2.32,;8.64,2.8,;8.17,4.26,;6.63,4.26,;6.15,2.8,;4.72,3.38,;7.4,1.9,;7.4,.36,;8.73,-.41,;8.73,-1.95,;7.4,-2.72,;7.4,-4.26,;6.06,-1.95,;6.06,-.41,;4.55,-.68,;4.02,-2.13,;3.56,.5,)|
Show InChI InChI=1S/C13H12BrNO2/c1-8-3-4-9(2)15(8)12-6-5-10(14)7-11(12)13(16)17/h3-7H,1-2H3,(H,16,17)
PDB
MMDB

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Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2MG7MX7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%