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PubMed code 11140738

Compile data set for download or QSAR
Found 8 hits 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
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50095339
PNG
(3,5,7-Trihydroxy-2-(4-iodo-phenyl)-chromen-4-one |...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(I)cc1
Show InChI InChI=1S/C15H9IO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
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n/an/an/a 1.06E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50095341
PNG
(3,5,7-Trihydroxy-2-(4-octyl-phenyl)-chromen-4-one ...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H26O5/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)23-22(27)21(26)20-18(25)13-17(24)14-19(20)28-23/h9-14,24-25,27H,2-8H2,1H3
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n/an/an/a 57n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/an/a 5.90E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50095342
PNG
(2-(2,4-Dichloro-phenyl)-3,5,7-trihydroxy-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H8Cl2O5/c16-6-1-2-8(9(17)3-6)15-14(21)13(20)12-10(19)4-7(18)5-11(12)22-15/h1-5,18-19,21H
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n/an/an/a 4.00E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50084978
PNG
(3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
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n/an/an/a 5.00E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/an/a 6.70E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50095340
PNG
(2-(4-Fluoro-phenyl)-3,5,7-trihydroxy-chromen-4-one...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
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n/an/an/a 6.80E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Mus musculus (Mouse))		BDBM50095338
PNG
(2-(4-Benzhydryl-phenyl)-3,5,7-trihydroxy-chromen-4...)
Show SMILES Oc1cc2oc(-c3ccc(cc3)C(c3ccccc3)c3ccccc3)c(O)c(O)c2c(=O)c1
Show InChI InChI=1S/C28H20O5/c29-21-15-22(30)25-23(16-21)33-28(27(32)26(25)31)20-13-11-19(12-14-20)24(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-16,24,29,31-32H
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n/an/an/a 2.00E+3n/an/an/an/an/a



Département de Pharmacochimie Moléculaire UMR-CNRS 5063

Curated by ChEMBL


Assay Description
Binding affinity of the compound to nucleotide-binding domain (NBD2) of P-Glycoprotein

Bioorg Med Chem Lett 11: 75-7 (2001)


BindingDB Entry DOI: 10.7270/Q2T43SC1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%