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PubMed code 11958985

Compile data set for download or QSAR
Found 21 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))		BDBM50111910
PNG
(9-Chloro-3-methyl-5-{3-[2-(3,4,5-trimethoxy-phenox...)
Show SMILES COc1cc(OCCc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C28H25ClN2O6/c1-16-24-26(30-37-16)25-20(29)9-6-10-21(25)31(28(24)32)18-8-5-7-17(13-18)11-12-36-19-14-22(33-2)27(35-4)23(15-19)34-3/h5-10,13-15H,11-12H2,1-4H3
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n/an/an/an/a 1.47E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111914
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1O
Show InChI InChI=1S/C27H22ClN3O6/c1-14-23-25(30-37-14)24-18(28)8-5-9-19(24)31(27(23)34)17-7-4-6-15(10-17)11-22(32)29-16-12-20(35-2)26(33)21(13-16)36-3/h4-10,12-13,33H,11H2,1-3H3,(H,29,32)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111924
PNG
(5-Methyl-isoxazole-3-carboxylic acid 3-(9-chloro-3...)
Show SMILES Cc1cc(no1)C(=O)NCc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C23H17ClN4O4/c1-12-9-17(26-31-12)22(29)25-11-14-5-3-6-15(10-14)28-18-8-4-7-16(24)20(18)21-19(23(28)30)13(2)32-27-21/h3-10H,11H2,1-2H3,(H,25,29)
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n/an/an/an/a 7.90E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111926
PNG
(5-Methyl-isoxazole-3-carboxylic acid [(1R,2R)-6-(9...)
Show SMILES Cc1cc(no1)C(=O)N[C@H]1[C@H](O)Cc2ccc(cc12)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C25H19ClN4O5/c1-11-8-17(28-34-11)24(32)27-22-15-10-14(7-6-13(15)9-19(22)31)30-18-5-3-4-16(26)21(18)23-20(25(30)33)12(2)35-29-23/h3-8,10,19,22,31H,9H2,1-2H3,(H,27,32)/t19-,22-/m1/s1
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n/an/an/an/a 1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111907
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C(F)(F)F)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C26H17ClF3N3O3/c1-14-22-24(32-36-14)23-19(27)6-3-7-20(23)33(25(22)35)18-5-2-4-15(12-18)13-21(34)31-17-10-8-16(9-11-17)26(28,29)30/h2-12H,13H2,1H3,(H,31,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111925
PNG
(4-{2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-...)
Show SMILES COC(=O)c1ccc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc1
Show InChI InChI=1S/C27H20ClN3O5/c1-15-23-25(30-36-15)24-20(28)7-4-8-21(24)31(26(23)33)19-6-3-5-16(13-19)14-22(32)29-18-11-9-17(10-12-18)27(34)35-2/h3-13H,14H2,1-2H3,(H,29,32)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111919
PNG
(CHEMBL554924 | N-[3-(9-Chloro-3-methyl-4-oxo-4H-is...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NCc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C28H24ClN3O6/c1-15-23-25(31-38-15)24-19(29)9-6-10-20(24)32(28(23)34)18-8-5-7-16(11-18)14-30-27(33)17-12-21(35-2)26(37-4)22(13-17)36-3/h5-13H,14H2,1-4H3,(H,30,33)
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n/an/an/an/a 1.13E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111909
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)S(N)(=O)=O)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H19ClN4O5S/c1-14-22-24(29-35-14)23-19(26)6-3-7-20(23)30(25(22)32)17-5-2-4-15(12-17)13-21(31)28-16-8-10-18(11-9-16)36(27,33)34/h2-12H,13H2,1H3,(H,28,31)(H2,27,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111918
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccccc3)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H18ClN3O3/c1-15-22-24(28-32-15)23-19(26)11-6-12-20(23)29(25(22)31)18-10-5-7-16(13-18)14-21(30)27-17-8-3-2-4-9-17/h2-13H,14H2,1H3,(H,27,30)
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n/an/an/an/a 2.30E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111920
PNG
(CHEMBL354544 | N-Benzo[1,3]dioxol-5-yl-2-[3-(9-chl...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc4OCOc4c3)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C26H18ClN3O5/c1-14-23-25(29-35-14)24-18(27)6-3-7-19(24)30(26(23)32)17-5-2-4-15(10-17)11-22(31)28-16-8-9-20-21(12-16)34-13-33-20/h2-10,12H,11,13H2,1H3,(H,28,31)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111923
PNG
(9-Chloro-3-methyl-5-{3-[(3,4,5-trimethoxy-benzylam...)
Show SMILES COc1cc(CNCc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C28H26ClN3O5/c1-16-24-26(31-37-16)25-20(29)9-6-10-21(25)32(28(24)33)19-8-5-7-17(11-19)14-30-15-18-12-22(34-2)27(36-4)23(13-18)35-3/h5-13,30H,14-15H2,1-4H3
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n/an/an/an/a 1.77E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111927
PNG
(CHEMBL355843 | N-(4-tert-Butyl-phenyl)-2-[3-(9-chl...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C(C)(C)C)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C29H26ClN3O3/c1-17-25-27(32-36-17)26-22(30)9-6-10-23(26)33(28(25)35)21-8-5-7-18(15-21)16-24(34)31-20-13-11-19(12-14-20)29(2,3)4/h5-15H,16H2,1-4H3,(H,31,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111911
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(C)cc3)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C26H20ClN3O3/c1-15-9-11-18(12-10-15)28-22(31)14-17-5-3-6-19(13-17)30-21-8-4-7-20(27)24(21)25-23(26(30)32)16(2)33-29-25/h3-13H,14H2,1-2H3,(H,28,31)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111913
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1cccc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)c1
Show InChI InChI=1S/C26H20ClN3O4/c1-15-23-25(29-34-15)24-20(27)10-5-11-21(24)30(26(23)32)18-8-3-6-16(12-18)13-22(31)28-17-7-4-9-19(14-17)33-2/h3-12,14H,13H2,1-2H3,(H,28,31)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111921
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1ccc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc1OC
Show InChI InChI=1S/C27H22ClN3O5/c1-15-24-26(30-36-15)25-19(28)8-5-9-20(25)31(27(24)33)18-7-4-6-16(12-18)13-23(32)29-17-10-11-21(34-2)22(14-17)35-3/h4-12,14H,13H2,1-3H3,(H,29,32)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111922
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(F)cc3)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H17ClFN3O3/c1-14-22-24(29-33-14)23-19(26)6-3-7-20(23)30(25(22)32)18-5-2-4-15(12-18)13-21(31)28-17-10-8-16(27)9-11-17/h2-12H,13H2,1H3,(H,28,31)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111908
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1cc(cc(OC)c1OC)N(C)C(=O)Cc1cccc(c1)-n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C29H26ClN3O6/c1-16-25-27(31-39-16)26-20(30)10-7-11-21(26)33(29(25)35)18-9-6-8-17(12-18)13-24(34)32(2)19-14-22(36-3)28(38-5)23(15-19)37-4/h6-12,14-15H,13H2,1-5H3
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n/an/an/an/a 640n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111912
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1
Show InChI InChI=1S/C27H22ClN3O5/c1-15-24-26(30-36-15)25-21(28)8-5-9-22(25)31(27(24)33)18-7-4-6-16(10-18)11-23(32)29-17-12-19(34-2)14-20(13-17)35-3/h4-10,12-14H,11H2,1-3H3,(H,29,32)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111917
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1ccc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc1
Show InChI InChI=1S/C26H20ClN3O4/c1-15-23-25(29-34-15)24-20(27)7-4-8-21(24)30(26(23)32)18-6-3-5-16(13-18)14-22(31)28-17-9-11-19(33-2)12-10-17/h3-13H,14H2,1-2H3,(H,28,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111915
PNG
(2-(3-(9-chloro-3-methyl-4-oxoisoxazolo[4,3-c]quino...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1OC
Show InChI InChI=1S/C28H24ClN3O6/c1-15-24-26(31-38-15)25-19(29)9-6-10-20(25)32(28(24)34)18-8-5-7-16(11-18)12-23(33)30-17-13-21(35-2)27(37-4)22(14-17)36-3/h5-11,13-14H,12H2,1-4H3,(H,30,33)
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n/an/an/an/a 900n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50111916
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C#N)c1)c1cccc(Cl)c21
Show InChI InChI=1S/C26H17ClN4O3/c1-15-23-25(30-34-15)24-20(27)6-3-7-21(24)31(26(23)33)19-5-2-4-17(12-19)13-22(32)29-18-10-8-16(14-28)9-11-18/h2-12H,13H2,1H3,(H,29,32)
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n/an/an/an/a 4.90E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%