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SMILES: Cc1cc2C3C=CCC3CN3C(C4CC=CC4c(c1)c23)C(O)=O

InChI Key: InChIKey=MWQDELXFQPFTJG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50187489   
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, adipocyte


(Homo sapiens (Human))		BDBM50187489
PNG
(CHEMBL3827483)
Show SMILES Cc1cc2C3C=CCC3CN3C(C4CC=CC4c(c1)c23)C(O)=O |c:5,15|
Show InChI InChI=1S/C20H21NO2/c1-11-8-16-13-5-2-4-12(13)10-21-18(16)17(9-11)14-6-3-7-15(14)19(21)20(22)23/h2-3,5-6,8-9,12-15,19H,4,7,10H2,1H3,(H,22,23)
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PubMed
 380n/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