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PubMed code 10386932

Compile data set for download or QSAR
Found 56 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))		BDBM50403702
PNG
(CHEMBL39858)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C27H41NO7/c1-5-6-7-8-12-15-23-20(2)27(31)33-18-25(29)28(3)22(16-21-13-10-9-11-14-21)24(34-19-32-4)17-26(30)35-23/h9-11,13-14,20,22-24H,5-8,12,15-19H2,1-4H3/t20-,22-,23+,24+/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403704
PNG
(CHEMBL290635)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
Show InChI InChI=1S/C27H41NO6/c1-6-7-8-9-13-16-23-19(2)25(31)34-27(3,4)26(32)28(5)21(22(29)18-24(30)33-23)17-20-14-11-10-12-15-20/h10-12,14-15,19,21-23,29H,6-9,13,16-18H2,1-5H3/t19-,21-,22-,23+/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403688
PNG
(HAPALOSIN)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403686
PNG
(CHEMBL288124)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26-,28-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403686
PNG
(CHEMBL288124)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26-,28-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403697
PNG
(CHEMBL40037)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
Show InChI InChI=1S/C29H45NO7/c1-7-8-9-10-14-17-24-21(2)27(32)37-29(3,4)28(33)30(5)23(18-22-15-12-11-13-16-22)25(35-20-34-6)19-26(31)36-24/h11-13,15-16,21,23-25H,7-10,14,17-20H2,1-6H3/t21-,23-,24+,25-/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403695
PNG
(CHEMBL290432)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23-,24+,26-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403688
PNG
(HAPALOSIN)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403692
PNG
(CHEMBL290049)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C25H37NO6/c1-4-5-6-7-11-14-22-18(2)25(30)31-17-23(28)26(3)20(21(27)16-24(29)32-22)15-19-12-9-8-10-13-19/h8-10,12-13,18,20-22,27H,4-7,11,14-17H2,1-3H3/t18-,20-,21+,22+/m0/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403710
PNG
(CHEMBL39969)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C28H43NO7/c1-6-7-8-9-13-16-24-20(2)28(32)35-21(3)27(31)29(4)23(17-22-14-11-10-12-15-22)25(34-19-33-5)18-26(30)36-24/h10-12,14-15,20-21,23-25H,6-9,13,16-19H2,1-5H3/t20-,21-,23-,24+,25+/m0/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403691
PNG
(CHEMBL38932)
Show SMILES CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](CC(=O)O1)OCOC
Show InChI InChI=1S/C29H45NO7/c1-6-7-8-9-13-16-23-18-26(31)37-28(21(2)3)29(33)30(4)24(17-22-14-11-10-12-15-22)25(35-20-34-5)19-27(32)36-23/h10-12,14-15,21,23-25,28H,6-9,13,16-20H2,1-5H3/t23-,24+,25-,28+/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403696
PNG
(CHEMBL40070)
Show SMILES CCCCCCC[C@H]1OC(=O)CC[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO5/c1-6-7-8-9-13-16-24-21(4)28(32)34-26(20(2)3)27(31)29(5)23(17-18-25(30)33-24)19-22-14-11-10-12-15-22/h10-12,14-15,20-21,23-24,26H,6-9,13,16-19H2,1-5H3/t21-,23+,24+,26-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403705
PNG
(CHEMBL40333)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26+,28-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403690
PNG
(CHEMBL35924)
Show SMILES CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1
Show InChI InChI=1S/C27H41NO6/c1-5-6-7-8-12-15-21-17-24(30)34-26(19(2)3)27(32)28(4)22(23(29)18-25(31)33-21)16-20-13-10-9-11-14-20/h9-11,13-14,19,21-23,26,29H,5-8,12,15-18H2,1-4H3/t21-,22+,23-,26+/m1/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403700
PNG
(CHEMBL8097)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C26H39NO6/c1-5-6-7-8-12-15-23-18(2)26(31)32-19(3)25(30)27(4)21(22(28)17-24(29)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,28H,5-8,12,15-17H2,1-4H3/t18-,19-,21-,22+,23+/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403707
PNG
(CHEMBL290433)
Show SMILES COCO[C@@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C24H35NO7/c1-15(2)22-23(27)25(5)19(12-18-10-8-7-9-11-18)20(30-14-29-6)13-21(26)31-17(4)16(3)24(28)32-22/h7-11,15-17,19-20,22H,12-14H2,1-6H3/t16-,17+,19-,20+,22-/m0/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403698
PNG
(CHEMBL40066)
Show SMILES COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C23H33NO7/c1-15(2)21-22(26)24(4)18(11-17-9-7-6-8-10-17)19(30-14-28-5)12-20(25)29-13-16(3)23(27)31-21/h6-10,15-16,18-19,21H,11-14H2,1-5H3/t16-,18-,19+,21-/m0/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403709
PNG
(CHEMBL38977)
Show SMILES CCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C24H35NO7/c1-5-6-12-20-17(2)24(28)30-15-22(26)25(3)19(13-18-10-8-7-9-11-18)21(31-16-29-4)14-23(27)32-20/h7-11,17,19-21H,5-6,12-16H2,1-4H3/t17-,19-,20+,21-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403688
PNG
(HAPALOSIN)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
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n/an/a 1.48E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403699
PNG
(CHEMBL39074)
Show SMILES COCO[C@H](CC(=O)OC)[C@H](Cc1ccccc1)N(C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29NO6/c1-24(23(26)29-16-19-12-8-5-9-13-19)20(14-18-10-6-4-7-11-18)21(30-17-27-2)15-22(25)28-3/h4-13,20-21H,14-17H2,1-3H3/t20-,21+/m0/s1
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n/an/a 1.49E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403703
PNG
(CHEMBL37203)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C22H31NO6/c1-13(2)20-21(26)23(5)17(11-16-9-7-6-8-10-16)18(24)12-19(25)28-15(4)14(3)22(27)29-20/h6-10,13-15,17-18,20,24H,11-12H2,1-5H3/t14-,15+,17-,18+,20-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403702
PNG
(CHEMBL39858)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C27H41NO7/c1-5-6-7-8-12-15-23-20(2)27(31)33-18-25(29)28(3)22(16-21-13-10-9-11-14-21)24(34-19-32-4)17-26(30)35-23/h9-11,13-14,20,22-24H,5-8,12,15-19H2,1-4H3/t20-,22-,23+,24+/m0/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403708
PNG
(CHEMBL40173)
Show SMILES CCCCCCC[C@@H](O)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C17H32O5/c1-6-7-8-9-10-11-14(18)13(4)16(19)22-15(12(2)3)17(20)21-5/h12-15,18H,6-11H2,1-5H3/t13-,14+,15-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403701
PNG
(CHEMBL37969)
Show SMILES COC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25NO5/c1-22(21(25)27-15-17-11-7-4-8-12-17)18(19(23)14-20(24)26-2)13-16-9-5-3-6-10-16/h3-12,18-19,23H,13-15H2,1-2H3/t18-,19+/m0/s1
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n/an/a 1.71E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403693
PNG
(CHEMBL288741)
Show SMILES CCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C22H31NO6/c1-4-5-11-19-15(2)22(27)28-14-20(25)23(3)17(18(24)13-21(26)29-19)12-16-9-7-6-8-10-16/h6-10,15,17-19,24H,4-5,11-14H2,1-3H3/t15-,17-,18-,19+/m0/s1
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n/an/a 1.81E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403710
PNG
(CHEMBL39969)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C28H43NO7/c1-6-7-8-9-13-16-24-20(2)28(32)35-21(3)27(31)29(4)23(17-22-14-11-10-12-15-22)25(34-19-33-5)18-26(30)36-24/h10-12,14-15,20-21,23-25H,6-9,13,16-19H2,1-5H3/t20-,21-,23-,24+,25+/m0/s1
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n/an/a 1.93E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403697
PNG
(CHEMBL40037)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
Show InChI InChI=1S/C29H45NO7/c1-7-8-9-10-14-17-24-21(2)27(32)37-29(3,4)28(33)30(5)23(18-22-15-12-11-13-16-22)25(35-20-34-6)19-26(31)36-24/h11-13,15-16,21,23-25H,7-10,14,17-20H2,1-6H3/t21-,23-,24+,25-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403694
PNG
(CHEMBL38750)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)COC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C21H29NO6/c1-13(2)19-20(25)22(4)16(10-15-8-6-5-7-9-15)17(23)11-18(24)27-12-14(3)21(26)28-19/h5-9,13-14,16-17,19,23H,10-12H2,1-4H3/t14-,16-,17+,19-/m0/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403692
PNG
(CHEMBL290049)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C25H37NO6/c1-4-5-6-7-11-14-22-18(2)25(30)31-17-23(28)26(3)20(21(27)16-24(29)32-22)15-19-12-9-8-10-13-19/h8-10,12-13,18,20-22,27H,4-7,11,14-17H2,1-3H3/t18-,20-,21+,22+/m0/s1
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n/an/a 2.25E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403690
PNG
(CHEMBL35924)
Show SMILES CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@H](O)CC(=O)O1
Show InChI InChI=1S/C27H41NO6/c1-5-6-7-8-12-15-21-17-24(30)34-26(19(2)3)27(32)28(4)22(23(29)18-25(31)33-21)16-20-13-10-9-11-14-20/h9-11,13-14,19,21-23,26,29H,5-8,12,15-18H2,1-4H3/t21-,22+,23-,26+/m1/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403700
PNG
(CHEMBL8097)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C26H39NO6/c1-5-6-7-8-12-15-23-18(2)26(31)32-19(3)25(30)27(4)21(22(28)17-24(29)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,28H,5-8,12,15-17H2,1-4H3/t18-,19-,21-,22+,23+/m0/s1
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n/an/a 2.71E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403704
PNG
(CHEMBL290635)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
Show InChI InChI=1S/C27H41NO6/c1-6-7-8-9-13-16-23-19(2)25(31)34-27(3,4)26(32)28(5)21(22(29)18-24(30)33-23)17-20-14-11-10-12-15-20/h10-12,14-15,19,21-23,29H,6-9,13,16-18H2,1-5H3/t19-,21-,22-,23+/m0/s1
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n/an/a 2.84E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403688
PNG
(HAPALOSIN)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1
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n/an/a 3.13E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403696
PNG
(CHEMBL40070)
Show SMILES CCCCCCC[C@H]1OC(=O)CC[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO5/c1-6-7-8-9-13-16-24-21(4)28(32)34-26(20(2)3)27(31)29(5)23(17-18-25(30)33-24)19-22-14-11-10-12-15-22/h10-12,14-15,20-21,23-24,26H,6-9,13,16-19H2,1-5H3/t21-,23+,24+,26-/m0/s1
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n/an/a 3.37E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403691
PNG
(CHEMBL38932)
Show SMILES CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](CC(=O)O1)OCOC
Show InChI InChI=1S/C29H45NO7/c1-6-7-8-9-13-16-23-18-26(31)37-28(21(2)3)29(33)30(4)24(17-22-14-11-10-12-15-22)25(35-20-34-5)19-27(32)36-23/h10-12,14-15,21,23-25,28H,6-9,13,16-20H2,1-5H3/t23-,24+,25-,28+/m1/s1
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n/an/a 3.44E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403705
PNG
(CHEMBL40333)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26+,28-/m0/s1
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n/an/a 3.49E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403686
PNG
(CHEMBL288124)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26-,28-/m0/s1
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n/an/a 4.15E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403686
PNG
(CHEMBL288124)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26-,28-/m0/s1
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n/an/a 4.15E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403695
PNG
(CHEMBL290432)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
Show InChI InChI=1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23-,24+,26-/m0/s1
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n/an/a 4.22E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403687
PNG
(CHEMBL38248)
Show SMILES COCO[C@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)OCC(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C21H29NO7/c1-14-15(2)29-20(24)11-18(28-13-26-4)17(10-16-8-6-5-7-9-16)22(3)19(23)12-27-21(14)25/h5-9,14-15,17-18H,10-13H2,1-4H3/t14-,15+,17-,18-/m0/s1
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n/an/a 4.27E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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
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n/an/a 5.30E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403707
PNG
(CHEMBL290433)
Show SMILES COCO[C@@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C24H35NO7/c1-15(2)22-23(27)25(5)19(12-18-10-8-7-9-11-18)20(30-14-29-6)13-21(26)31-17(4)16(3)24(28)32-22/h7-11,15-17,19-20,22H,12-14H2,1-6H3/t16-,17+,19-,20+,22-/m0/s1
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n/an/a>7.50E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403693
PNG
(CHEMBL288741)
Show SMILES CCCC[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C22H31NO6/c1-4-5-11-19-15(2)22(27)28-14-20(25)23(3)17(18(24)13-21(26)29-19)12-16-9-7-6-8-10-16/h6-10,15,17-19,24H,4-5,11-14H2,1-3H3/t15-,17-,18-,19+/m0/s1
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n/an/a>8.00E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403708
PNG
(CHEMBL40173)
Show SMILES CCCCCCC[C@@H](O)[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OC
Show InChI InChI=1S/C17H32O5/c1-6-7-8-9-10-11-14(18)13(4)16(19)22-15(12(2)3)17(20)21-5/h12-15,18H,6-11H2,1-5H3/t13-,14+,15-/m0/s1
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n/an/a>8.30E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403699
PNG
(CHEMBL39074)
Show SMILES COCO[C@H](CC(=O)OC)[C@H](Cc1ccccc1)N(C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29NO6/c1-24(23(26)29-16-19-12-8-5-9-13-19)20(14-18-10-6-4-7-11-18)21(30-17-27-2)15-22(25)28-3/h4-13,20-21H,14-17H2,1-3H3/t20-,21+/m0/s1
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n/an/a>8.60E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403701
PNG
(CHEMBL37969)
Show SMILES COC(=O)C[C@@H](O)[C@H](Cc1ccccc1)N(C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25NO5/c1-22(21(25)27-15-17-11-7-4-8-12-17)18(19(23)14-20(24)26-2)13-16-9-5-3-6-10-16/h3-12,18-19,23H,13-15H2,1-2H3/t18-,19+/m0/s1
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n/an/a>8.90E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403706
PNG
(CHEMBL39957)
Show SMILES C[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C19H25NO6/c1-12-13(2)26-18(23)10-16(21)15(9-14-7-5-4-6-8-14)20(3)17(22)11-25-19(12)24/h4-8,12-13,15-16,21H,9-11H2,1-3H3/t12-,13+,15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403687
PNG
(CHEMBL38248)
Show SMILES COCO[C@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)OCC(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C21H29NO7/c1-14-15(2)29-20(24)11-18(28-13-26-4)17(10-16-8-6-5-7-9-16)22(3)19(23)12-27-21(14)25/h5-9,14-15,17-18H,10-13H2,1-4H3/t14-,15+,17-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403706
PNG
(CHEMBL39957)
Show SMILES C[C@H]1OC(=O)C[C@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C19H25NO6/c1-12-13(2)26-18(23)10-16(21)15(9-14-7-5-4-6-8-14)20(3)17(22)11-25-19(12)24/h4-8,12-13,15-16,21H,9-11H2,1-3H3/t12-,13+,15-,16-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403703
PNG
(CHEMBL37203)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C22H31NO6/c1-13(2)20-21(26)23(5)17(11-16-9-7-6-8-10-16)18(24)12-19(25)28-15(4)14(3)22(27)29-20/h6-10,13-15,17-18,20,24H,11-12H2,1-5H3/t14-,15+,17-,18+,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403698
PNG
(CHEMBL40066)
Show SMILES COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1
Show InChI InChI=1S/C23H33NO7/c1-15(2)21-22(26)24(4)18(11-17-9-7-6-8-10-17)19(30-14-28-5)12-20(25)29-13-16(3)23(27)31-21/h6-10,15-16,18-19,21H,11-14H2,1-5H3/t16-,18-,19+,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403709
PNG
(CHEMBL38977)
Show SMILES CCCC[C@H]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
Show InChI InChI=1S/C24H35NO7/c1-5-6-12-20-17(2)24(28)30-15-22(26)25(3)19(13-18-10-8-7-9-11-18)21(31-16-29-4)14-23(27)32-20/h7-11,17,19-21H,5-6,12-16H2,1-4H3/t17-,19-,20+,21-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403694
PNG
(CHEMBL38750)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)COC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C21H29NO6/c1-13(2)19-20(25)22(4)16(10-15-8-6-5-7-9-15)17(23)11-18(24)27-12-14(3)21(26)28-19/h5-9,13-14,16-17,19,23H,10-12H2,1-4H3/t14-,16-,17+,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403689
PNG
(CHEMBL38854)
Show SMILES CCCCCCC[C@@H](O)[C@H](C)C(=O)OC
Show InChI InChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(13)10(2)12(14)15-3/h10-11,13H,4-9H2,1-3H3/t10-,11+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50403689
PNG
(CHEMBL38854)
Show SMILES CCCCCCC[C@@H](O)[C@H](C)C(=O)OC
Show InChI InChI=1S/C12H24O3/c1-4-5-6-7-8-9-11(13)10(2)12(14)15-3/h10-11,13H,4-9H2,1-3H3/t10-,11+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...

Bioorg Med Chem Lett 9: 1541-6 (1999)


BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%