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SMILES: COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)C1Oc2cc(O)cc(O)c2C(=O)C1O

InChI Key: InChIKey=SEBFKMXJBCUCAI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50218276   
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
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50218276
PNG
(Silibinin | Silymarin)
Show SMILES COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)C1Oc2cc(O)cc(O)c2C(=O)C1O
Show InChI InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3
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PC cid
PC sid
UniChem

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PubMed
n/an/an/a 6.80E+3n/an/an/an/an/a



Universit£ Claude Bernard-Lyon 1

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards recombinant NBD2 C-terminal cytotoxic nucleotide-binding domain of mouse P-Glycoprotein

Bioorg Med Chem Lett 10: 157-60 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2W1W
More data for this
Ligand-Target Pair