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BDBM50187491 CHEMBL3827461

SMILES: CCOc1cc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)ccc1O

InChI Key: InChIKey=VULAOWDMCOHWSW-XYOKQWHBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187491   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))		BDBM50187491
PNG
(CHEMBL3827461)
Show SMILES CCOc1cc(\C=C2\SC(=S)N(CCC(O)=O)C2=O)ccc1O
Show InChI InChI=1S/C15H15NO5S2/c1-2-21-11-7-9(3-4-10(11)17)8-12-14(20)16(15(22)23-12)6-5-13(18)19/h3-4,7-8,17H,2,5-6H2,1H3,(H,18,19)/b12-8+
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Similars
PubMed
 2.50E+3n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from His6-tagged FABP4 (unknown origin) expressed in Escherichia coli BL21(DE3) cells by fluorescence assay

Bioorg Med Chem 24: 4310-4317 (2016)


BindingDB Entry DOI: 10.7270/Q2NC634M
More data for this
Ligand-Target Pair