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Compile Data Set for Download or QSAR

Found 583 hits of ic50 data for polymerid = 8500   
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485609
PNG
(SCHISANTHERIN A)
Show SMILES COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C29H30O9/c1-15-11-17-12-20-24(37-14-36-20)23(30)21(17)22-18(13-19(33-3)25(34-4)26(22)35-5)27(29(15,2)32)38-28(31)16-9-7-6-8-10-16/h6-10,12-13,15,27,30,32H,11,14H2,1-5H3/t15-,27-,29-/m0/s1
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n/an/a 0.765n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485612
PNG
(GOMISIN A)
Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485610
PNG
(SCHIZANDRIN | Schisandrin)
Show SMILES COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1
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n/an/a 1.16n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50341711
PNG
(CHEMBL479488 | schisandrin B)
Show SMILES COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Show InChI InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
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n/an/a 1.25n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 1.5n/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M24 cells

Mol Pharmacol 69: 1499-505 (2006)


Article DOI: 10.1124/mol.105.017988
BindingDB Entry DOI: 10.7270/Q2GT5PDS
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 1.5n/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: cell accumulation in MCF7/MRP1-M6 cells

Mol Pharmacol 69: 1499-505 (2006)


Article DOI: 10.1124/mol.105.017988
BindingDB Entry DOI: 10.7270/Q2GT5PDS
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 1.90n/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: cell accumulation in MCF7/MRP1-10 cells

Mol Pharmacol 69: 1499-505 (2006)


Article DOI: 10.1124/mol.105.017988
BindingDB Entry DOI: 10.7270/Q2GT5PDS
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485609
PNG
(SCHISANTHERIN A)
Show SMILES COc1cc2[C@H](OC(=O)c3ccccc3)[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(O)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C29H30O9/c1-15-11-17-12-20-24(37-14-36-20)23(30)21(17)22-18(13-19(33-3)25(34-4)26(22)35-5)27(29(15,2)32)38-28(31)16-9-7-6-8-10-16/h6-10,12-13,15,27,30,32H,11,14H2,1-5H3/t15-,27-,29-/m0/s1
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n/an/a 6.32n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485611
PNG
(SCHISANDRIN A)
Show SMILES COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
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n/an/a 6.96n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485610
PNG
(SCHIZANDRIN | Schisandrin)
Show SMILES COc1cc2C[C@H](C)[C@@](C)(O)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3/t13-,24-/m0/s1
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n/an/a 8.09n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485612
PNG
(GOMISIN A)
Show SMILES COc1cc2C[C@@](C)(O)[C@@H](C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C23H28O7/c1-12-7-13-8-16-20(30-11-29-16)22(28-6)17(13)18-14(10-23(12,2)24)9-15(25-3)19(26-4)21(18)27-5/h8-9,12,24H,7,10-11H2,1-6H3/t12-,23+/m0/s1
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n/an/a 9.36n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50341711
PNG
(CHEMBL479488 | schisandrin B)
Show SMILES COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC
Show InChI InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3
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n/an/a 9.49n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/MRP cells

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50485611
PNG
(SCHISANDRIN A)
Show SMILES COc1cc2C[C@H](C)[C@H](C)Cc3cc(OC)c(OC)c(OC)c3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C24H32O6/c1-13-9-15-11-17(25-3)21(27-5)23(29-7)19(15)20-16(10-14(13)2)12-18(26-4)22(28-6)24(20)30-8/h11-14H,9-10H2,1-8H3/t13-,14+
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n/an/a 9.84n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of VCR transport in HL60/ADR cells (overexpression of MRP1)

Life Sci 80: 741-8 (2007)


Article DOI: 10.1016/j.lfs.2006.11.002
BindingDB Entry DOI: 10.7270/Q2J67KT3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140854
PNG
(8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C28H32F2N8O2/c1-35-25-24(23-19(26(31)39)4-6-32-27(23)35)33-22(17-37-12-14-40-15-13-37)34-28(25)38-10-8-36(9-11-38)7-5-18-2-3-20(29)21(30)16-18/h2-4,6,16H,5,7-15,17H2,1H3,(H2,31,39)
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n/an/a 10n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140848
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C26H29F2N7O/c1-32-21-4-6-29-25(35-12-14-36-15-13-35)22(21)23-24(32)26(31-17-30-23)34-10-8-33(9-11-34)7-5-18-2-3-19(27)20(28)16-18/h2-4,6,16-17H,5,7-15H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140835
PNG
(8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1nc2n(C)c3c(ncnc3c2c(C(N)=O)c1[N+]([O-])=O)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C24H24F2N8O3/c1-13-20(34(36)37)18(22(27)35)17-19-21(31(2)23(17)30-13)24(29-12-28-19)33-9-7-32(8-10-33)6-5-14-3-4-15(25)16(26)11-14/h3-4,11-12H,5-10H2,1-2H3,(H2,27,35)
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n/an/a 11n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140840
PNG
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Show SMILES CN(C)c1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C24H27F2N7/c1-30(2)23-20-19(6-8-27-23)31(3)22-21(20)28-15-29-24(22)33-12-10-32(11-13-33)9-7-16-4-5-17(25)18(26)14-16/h4-6,8,14-15H,7,9-13H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140849
PNG
(8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2nccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C23H23F2N7O/c1-30-20-19(18-15(21(26)33)4-6-27-22(18)30)28-13-29-23(20)32-10-8-31(9-11-32)7-5-14-2-3-16(24)17(25)12-14/h2-4,6,12-13H,5,7-11H2,1H3,(H2,26,33)
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n/an/a 12n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140867
PNG
(9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n(C)c3ccnc(Cl)c3c2n1
Show InChI InChI=1S/C24H25ClF2N6O/c1-31-18-5-7-28-23(25)20(18)21-22(31)24(30-19(29-21)14-34-2)33-11-9-32(10-12-33)8-6-15-3-4-16(26)17(27)13-15/h3-5,7,13H,6,8-12,14H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140839
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C28H25F2N7O2/c29-21-5-4-19(16-22(21)30)8-11-34-12-14-35(15-13-34)28-27-26(32-18-33-28)25-23(2-1-3-24(25)37(38)39)36(27)17-20-6-9-31-10-7-20/h1-7,9-10,16,18H,8,11-15,17H2
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n/an/a 14n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140877
PNG
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Show SMILES Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C28H28F2N8/c1-36-23-7-10-32-27(33-17-20-4-2-3-9-31-20)24(23)25-26(36)28(35-18-34-25)38-14-12-37(13-15-38)11-8-19-5-6-21(29)22(30)16-19/h2-7,9-10,16,18H,8,11-15,17H2,1H3,(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140850
PNG
(9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C27H30ClF2N7O/c1-34-21-4-6-31-26(28)23(21)24-25(34)27(33-22(32-24)17-36-12-14-38-15-13-36)37-10-8-35(9-11-37)7-5-18-2-3-19(29)20(30)16-18/h2-4,6,16H,5,7-15,17H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140863
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cc([N+]([O-])=O)c2[nH]c3c(nc(CN4CCOCC4)nc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C27H28F2N8O5/c28-20-2-1-17(13-21(20)29)3-4-33-5-7-35(8-6-33)27-26-25(30-23(31-27)16-34-9-11-42-12-10-34)19-14-18(36(38)39)15-22(37(40)41)24(19)32-26/h1-2,13-15,32H,3-12,16H2
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n/an/a 19n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140846
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1cccc2n(Cc3ccncc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C29H27F2N7O/c30-22-5-4-19(16-23(22)31)8-11-36-12-14-37(15-13-36)29-27-26(34-18-35-29)25-21(28(32)39)2-1-3-24(25)38(27)17-20-6-9-33-10-7-20/h1-7,9-10,16,18H,8,11-15,17H2,(H2,32,39)
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n/an/a 20n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140880
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H24F2N6/c1-15-20-19(5-7-26-15)29(2)22-21(20)27-14-28-23(22)31-11-9-30(10-12-31)8-6-16-3-4-17(24)18(25)13-16/h3-5,7,13-14H,6,8-12H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140876
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H22F2N6/c1-28-19-4-6-25-13-16(19)20-21(28)22(27-14-26-20)30-10-8-29(9-11-30)7-5-15-2-3-17(23)18(24)12-15/h2-4,6,12-14H,5,7-11H2,1H3
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n/an/a 24n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140875
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C24H24F2N6O/c1-30-19-4-2-3-16(23(27)33)20(19)21-22(30)24(29-14-28-21)32-11-9-31(10-12-32)8-7-15-5-6-17(25)18(26)13-15/h2-6,13-14H,7-12H2,1H3,(H2,27,33)
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n/an/a 24n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140852
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cccc2n(Cc3cccnc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C28H25F2N7O2/c29-21-7-6-19(15-22(21)30)8-10-34-11-13-35(14-12-34)28-27-26(32-18-33-28)25-23(4-1-5-24(25)37(38)39)36(27)17-20-3-2-9-31-16-20/h1-7,9,15-16,18H,8,10-14,17H2
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n/an/a 27n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140872
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CC(C)Oc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H28F2N6O/c1-16(2)34-25-21-20(6-8-28-25)31(3)23-22(21)29-15-30-24(23)33-12-10-32(11-13-33)9-7-17-4-5-18(26)19(27)14-17/h4-6,8,14-16H,7,9-13H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140853
PNG
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Show SMILES CNc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H25F2N7/c1-26-22-19-18(5-7-27-22)30(2)21-20(19)28-14-29-23(21)32-11-9-31(10-12-32)8-6-15-3-4-16(24)17(25)13-15/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,26,27)
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n/an/a 28n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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n/an/a 28n/an/an/an/an/an/a



Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Inhibition of MRP1 in human 2008/MRP1 cells assessed as reduction in cell viability after 5 days by MTS/PMS assay

J Med Chem 62: 8578-8608 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00963
BindingDB Entry DOI: 10.7270/Q28S4T5Q
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140857
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C29H33F2N7O2/c1-35-23-4-2-3-20(28(32)39)25(23)26-27(35)29(34-24(33-26)18-37-13-15-40-16-14-37)38-11-9-36(10-12-38)8-7-19-5-6-21(30)22(31)17-19/h2-6,17H,7-16,18H2,1H3,(H2,32,39)
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n/an/a 29n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140880
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H24F2N6/c1-15-20-19(5-7-26-15)29(2)22-21(20)27-14-28-23(22)31-11-9-30(10-12-31)8-6-16-3-4-17(24)18(25)13-16/h3-5,7,13-14H,6,8-12H2,1-2H3
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n/an/a 33n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50174854
PNG
(CHEMBL200216 | N-(((1R,3S)-3-(9-chloro-3-methyl-4-...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18+/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1-mediated LTC4 uptake into membrane vesicles from HeLa-T5 cells expressing MRP1

Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140859
PNG
(9-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H21ClF2N6/c1-29-17-4-6-26-21(23)18(17)19-20(29)22(28-13-27-19)31-10-8-30(9-11-31)7-5-14-2-3-15(24)16(25)12-14/h2-4,6,12-13H,5,7-11H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140845
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cccc2n(CCc3ccccc3)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C30H28F2N6O2/c31-23-10-9-22(19-24(23)32)11-13-35-15-17-36(18-16-35)30-29-28(33-20-34-30)27-25(7-4-8-26(27)38(39)40)37(29)14-12-21-5-2-1-3-6-21/h1-10,19-20H,11-18H2
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n/an/a 41n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140820
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES COc1cccc(CNC(=O)c2c3CCCCn3c3c(ncnc23)N2CCN(CCc3ccc(F)c(F)c3)CC2)c1OC
Show InChI InChI=1S/C32H36F2N6O3/c1-42-26-8-5-6-22(30(26)43-2)19-35-32(41)27-25-7-3-4-12-40(25)29-28(27)36-20-37-31(29)39-16-14-38(15-17-39)13-11-21-9-10-23(33)24(34)18-21/h5-6,8-10,18,20H,3-4,7,11-17,19H2,1-2H3,(H,35,41)
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n/an/a 43n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line

J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140876
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H22F2N6/c1-28-19-4-6-25-13-16(19)20-21(28)22(27-14-26-20)30-10-8-29(9-11-30)7-5-15-2-3-17(23)18(24)12-15/h2-4,6,12-14H,5,7-11H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140834
PNG
(9-Carbamoyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-p...)
Show SMILES CCOC(=O)n1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C26H26F2N6O3/c1-2-37-26(36)34-20-5-3-4-17(24(29)35)21(20)22-23(34)25(31-15-30-22)33-12-10-32(11-13-33)9-8-16-6-7-18(27)19(28)14-16/h3-7,14-15H,2,8-13H2,1H3,(H2,29,35)
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n/an/a 45n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140874
PNG
(8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2nccc(C#N)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C23H21F2N7/c1-30-21-20(19-16(13-26)4-6-27-22(19)30)28-14-29-23(21)32-10-8-31(9-11-32)7-5-15-2-3-17(24)18(25)12-15/h2-4,6,12,14H,5,7-11H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140862
PNG
(5-Benzyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c4cnccc4n(Cc4ccccc4)c23)cc1F
Show InChI InChI=1S/C28H26F2N6/c29-23-7-6-20(16-24(23)30)9-11-34-12-14-35(15-13-34)28-27-26(32-19-33-28)22-17-31-10-8-25(22)36(27)18-21-4-2-1-3-5-21/h1-8,10,16-17,19H,9,11-15,18H2
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n/an/a 48n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140861
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C22H20F2N6O2/c23-17-3-1-14(11-18(17)24)5-6-28-7-9-29(10-8-28)22-21-20(25-13-26-22)16-12-15(30(31)32)2-4-19(16)27-21/h1-4,11-13,27H,5-10H2
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n/an/a 51n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140847
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES [O-][N+](=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C22H20F2N6O2/c23-15-5-4-14(12-16(15)24)6-7-28-8-10-29(11-9-28)22-21-20(25-13-26-22)19-17(27-21)2-1-3-18(19)30(31)32/h1-5,12-13,27H,6-11H2
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n/an/a 59n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140866
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES COC(=O)c1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C24H23F2N5O2/c1-33-24(32)16-3-5-20-17(13-16)21-22(29-20)23(28-14-27-21)31-10-8-30(9-11-31)7-6-15-2-4-18(25)19(26)12-15/h2-5,12-14,29H,6-11H2,1H3
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n/an/a 59n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140825
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)NCc4ccccn4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C29H31F2N7O/c30-22-8-7-20(17-23(22)31)9-12-36-13-15-37(16-14-36)28-27-26(34-19-35-28)25(24-6-2-4-11-38(24)27)29(39)33-18-21-5-1-3-10-32-21/h1,3,5,7-8,10,17,19H,2,4,6,9,11-16,18H2,(H,33,39)
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n/an/a 61n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line

J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140875
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C24H24F2N6O/c1-30-19-4-2-3-16(23(27)33)20(19)21-22(30)24(29-14-28-21)32-11-9-31(10-12-32)8-7-15-5-6-17(25)18(26)13-15/h2-6,13-14H,7-12H2,1H3,(H2,27,33)
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n/an/a 62n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140837
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES COc1nccc2n(C)c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H24F2N6O/c1-29-18-5-7-26-23(32-2)19(18)20-21(29)22(28-14-27-20)31-11-9-30(10-12-31)8-6-15-3-4-16(24)17(25)13-15/h3-5,7,13-14H,6,8-12H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140842
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1cccc2[nH]c3c(ncnc3c12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H22F2N6O/c24-16-5-4-14(12-17(16)25)6-7-30-8-10-31(11-9-30)23-21-20(27-13-28-23)19-15(22(26)32)2-1-3-18(19)29-21/h1-5,12-13,29H,6-11H2,(H2,26,32)
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n/an/a 65n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140855
PNG
(8-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1cc(C(N)=O)c2c(n1)n(C)c1c(ncnc21)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C24H25F2N7O/c1-14-11-16(22(27)34)19-20-21(31(2)23(19)30-14)24(29-13-28-20)33-9-7-32(8-10-33)6-5-15-3-4-17(25)18(26)12-15/h3-4,11-13H,5-10H2,1-2H3,(H2,27,34)
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n/an/a 67n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in single-dose potentiation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50140848
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C26H29F2N7O/c1-32-21-4-6-29-25(35-12-14-36-15-13-35)22(21)23-24(32)26(31-17-30-23)34-10-8-33(9-11-34)7-5-18-2-3-19(27)20(28)16-18/h2-4,6,16-17H,5,7-15H2,1H3
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n/an/a 71n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line in accumulation assay

J Med Chem 47: 1339-50 (2004)


Article DOI: 10.1021/jm0310129
BindingDB Entry DOI: 10.7270/Q21Z43T3
More data for this
Ligand-Target Pair
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