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PubMed code 15240100

Compile data set for download or QSAR
Found 12 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


(Homo sapiens (Human))		BDBM50420207
PNG
(CHEMBL2074901)
Show SMILES COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H20O7/c1-22-12-8-15(23-2)19-13(21)10-14(27-16(19)9-12)11-6-17(24-3)20(26-5)18(7-11)25-4/h6-10H,1-5H3
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n/an/a 400n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420208
PNG
(CHEMBL370963)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C21H22O8/c1-23-15-7-11(8-16(24-2)19(15)26-4)13-9-12(22)18-14(29-13)10-17(25-3)20(27-5)21(18)28-6/h7-10H,1-6H3
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n/an/a 900n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420209
PNG
(CHEMBL91153)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C17H14O4/c1-19-15-8-7-11(9-17(15)20-2)16-10-13(18)12-5-3-4-6-14(12)21-16/h3-10H,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420210
PNG
(CHEMBL13473)
Show SMILES COc1ccc2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H16O5/c1-20-12-5-6-13-14(19)10-16(23-17(13)9-12)11-4-7-15(21-2)18(8-11)22-3/h4-10H,1-3H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420211
PNG
(TRIMETHYLAPIGENIN)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OC)cc2o1
Show InChI InChI=1S/C18H16O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-10H,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420212
PNG
(CHEMBL2074919)
Show SMILES COc1ccc2oc(-c3ccc(OC)c(OC)c3)c(OC)c(=O)c2c1
Show InChI InChI=1S/C19H18O6/c1-21-12-6-8-14-13(10-12)17(20)19(24-4)18(25-14)11-5-7-15(22-2)16(9-11)23-3/h5-10H,1-4H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50338975
PNG
(2-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-4H-chrome...)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420206
PNG
(CHEMBL75258)
Show SMILES COc1cc(cc(OC)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C18H16O8/c1-23-12-4-8(5-13(24-2)18(12)25-3)17-16(22)15(21)14-10(20)6-9(19)7-11(14)26-17/h4-7,19-20,22H,1-3H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420213
PNG
(CHEMBL575072)
Show SMILES COc1ccc(cc1OC)-c1oc2cc(O)ccc2c(=O)c1O
Show InChI InChI=1S/C17H14O6/c1-21-12-6-3-9(7-14(12)22-2)17-16(20)15(19)11-5-4-10(18)8-13(11)23-17/h3-8,18,20H,1-2H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1.96E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/a 5.25E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells

Biochem Biophys Res Commun 320: 672-9 (2004)


Article DOI: 10.1016/j.bbrc.2004.06.020
BindingDB Entry DOI: 10.7270/Q2891748
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%