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PubMed code 14998323

Compile data set for download or QSAR
Found 79 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
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))		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))		BDBM50140803
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C28H29F2N7O/c29-21-7-6-19(16-22(21)30)8-11-35-12-14-36(15-13-35)27-26-25(32-18-33-27)24(23-5-1-2-10-37(23)26)28(38)34-20-4-3-9-31-17-20/h3-4,6-7,9,16-18H,1-2,5,8,10-15H2,(H,34,38)
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n/an/a 76n/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))		BDBM50140804
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2ccncc2)cc1F
Show InChI InChI=1S/C28H27F2N7/c29-22-5-4-19(17-23(22)30)8-12-35-13-15-36(16-14-35)28-26-25(21(18-31)24-3-1-2-11-37(24)26)33-27(34-28)20-6-9-32-10-7-20/h4-7,9-10,17H,1-3,8,11-16H2
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n/an/a 105n/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))		BDBM50140798
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H30F2N6O/c1-2-28-25(34)21-20-5-3-4-9-33(20)23-22(21)29-16-30-24(23)32-13-11-31(12-14-32)10-8-17-6-7-18(26)19(27)15-17/h6-7,15-16H,2-5,8-14H2,1H3,(H,28,34)
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n/an/a 120n/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))		BDBM50140806
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H26F2N6O/c24-16-5-4-15(13-17(16)25)6-8-29-9-11-30(12-10-29)23-21-20(27-14-28-23)19(22(26)32)18-3-1-2-7-31(18)21/h4-5,13-14H,1-3,6-12H2,(H2,26,32)
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n/an/a 138n/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))		BDBM50140814
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2cccnc2)cc1F
Show InChI InChI=1S/C28H27F2N7/c29-22-7-6-19(16-23(22)30)8-11-35-12-14-36(15-13-35)28-26-25(21(17-31)24-5-1-2-10-37(24)26)33-27(34-28)20-4-3-9-32-18-20/h3-4,6-7,9,16,18H,1-2,5,8,10-15H2
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n/an/a 218n/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))		BDBM50140810
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C23H24F2N6/c24-18-5-4-16(13-19(18)25)6-8-29-9-11-30(12-10-29)23-22-21(27-15-28-23)17(14-26)20-3-1-2-7-31(20)22/h4-5,13,15H,1-3,6-12H2
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n/an/a 229n/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))		BDBM50140828
PNG
(4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
Show InChI InChI=1S/C23H25ClN6/c24-18-6-4-17(5-7-18)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)19(15-25)20-3-1-2-9-30(20)22/h4-7,16H,1-3,8-14H2
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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))		BDBM50140802
PNG
(4-{4-[2-(3-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C23H25N7O2/c24-15-19-20-6-1-2-8-29(20)22-21(19)25-16-26-23(22)28-12-10-27(11-13-28)9-7-17-4-3-5-18(14-17)30(31)32/h3-5,14,16H,1-2,6-13H2
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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))		BDBM50140831
PNG
(4-{4-[2-(4-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
Show InChI InChI=1S/C23H25N7O2/c24-15-19-20-3-1-2-9-29(20)22-21(19)25-16-26-23(22)28-13-11-27(12-14-28)10-8-17-4-6-18(7-5-17)30(31)32/h4-7,16H,1-3,8-14H2
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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))		BDBM50140816
PNG
(10-(4,5-Dimethyl-thiazol-2-yl)-4-(4-phenethyl-pipe...)
Show SMILES Cc1nc(sc1C)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C27H32N6S/c1-19-20(2)34-27(30-19)23-22-10-6-7-12-33(22)25-24(23)28-18-29-26(25)32-16-14-31(15-17-32)13-11-21-8-4-3-5-9-21/h3-5,8-9,18H,6-7,10-17H2,1-2H3
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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))		BDBM50140823
PNG
(CHEMBL283835 | N-{4-[10-Cyano-4-(4-phenethyl-piper...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C31H33N7O/c1-22(39)33-25-12-10-24(11-13-25)30-34-28-26(21-32)27-9-5-6-15-38(27)29(28)31(35-30)37-19-17-36(18-20-37)16-14-23-7-3-2-4-8-23/h2-4,7-8,10-13H,5-6,9,14-20H2,1H3,(H,33,39)
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n/an/a 570n/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))		BDBM50140821
PNG
(4-{4-[2-(1H-Indol-3-yl)-ethyl]-piperazin-1-yl}-6,7...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H27N7/c26-15-20-22-7-3-4-9-32(22)24-23(20)28-17-29-25(24)31-13-11-30(12-14-31)10-8-18-16-27-21-6-2-1-5-19(18)21/h1-2,5-6,16-17,27H,3-4,7-14H2
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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))		BDBM50140809
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C30H30F2N6/c1-20-6-2-3-7-22(20)29-34-27-23(19-33)26-8-4-5-12-38(26)28(27)30(35-29)37-16-14-36(15-17-37)13-11-21-9-10-24(31)25(32)18-21/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3
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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))		BDBM50140812
PNG
(10-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-(4-phenethyl...)
Show SMILES Cc1nc(no1)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H29N7O/c1-18-28-24(29-33-18)21-20-9-5-6-11-32(20)23-22(21)26-17-27-25(23)31-15-13-30(14-16-31)12-10-19-7-3-2-4-8-19/h2-4,7-8,17H,5-6,9-16H2,1H3
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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))		BDBM50140801
PNG
(4-(4-Phenethyl-piperazin-1-yl)-10-pyrimidin-2-yl-6...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(c3CCCCn3c12)-c1ncccn1
Show InChI InChI=1S/C26H29N7/c1-2-7-20(8-3-1)10-14-31-15-17-32(18-16-31)26-24-23(29-19-30-26)22(25-27-11-6-12-28-25)21-9-4-5-13-33(21)24/h1-3,6-8,11-12,19H,4-5,9-10,13-18H2
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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))		BDBM50140829
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
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n/an/a 690n/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))		BDBM50140818
PNG
(4-(4-Phenethyl-piperazin-1-yl)-2-phenyl-6,7,8,9-te...)
Show SMILES N#Cc1c2CCCCn2c2c(nc(nc12)-c1ccccc1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C29H30N6/c30-21-24-25-13-7-8-15-35(25)27-26(24)31-28(23-11-5-2-6-12-23)32-29(27)34-19-17-33(18-20-34)16-14-22-9-3-1-4-10-22/h1-6,9-12H,7-8,13-20H2
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n/an/a 715n/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))		BDBM50140800
PNG
(2-Iodo-4-(4-phenethyl-piperazin-1-yl)-6,7,8,9-tetr...)
Show SMILES Ic1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C23H25IN6/c24-23-26-20-18(16-25)19-8-4-5-10-30(19)21(20)22(27-23)29-14-12-28(13-15-29)11-9-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2
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n/an/a 887n/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))		BDBM50140819
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES COC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H29N5O2/c1-31-24(30)20-19-9-5-6-11-29(19)22-21(20)25-17-26-23(22)28-15-13-27(14-16-28)12-10-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
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n/an/a 910n/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))		BDBM50140808
PNG
(4-{4-[2-(3-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C23H25ClN6/c24-18-5-3-4-17(14-18)7-9-28-10-12-29(13-11-28)23-22-21(26-16-27-23)19(15-25)20-6-1-2-8-30(20)22/h3-5,14,16H,1-2,6-13H2
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n/an/a 920n/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))		BDBM50140830
PNG
(4-{4-[2-(2-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C23H25ClN6/c24-19-6-2-1-5-17(19)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)18(15-25)20-7-3-4-9-30(20)22/h1-2,5-6,16H,3-4,7-14H2
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n/an/a 955n/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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140804
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2nc(nc3c(C#N)c4CCCCn4c23)-c2ccncc2)cc1F
Show InChI InChI=1S/C28H27F2N7/c29-22-5-4-19(17-23(22)30)8-12-35-13-15-36(16-14-35)28-26-25(21(18-31)24-3-1-2-11-37(24)26)33-27(34-28)20-6-9-32-10-7-20/h4-7,9-10,17H,1-3,8,11-16H2
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n/an/a 1.31E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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))		BDBM50140799
PNG
(CHEMBL282151 | [4-(4-Phenethyl-piperazin-1-yl)-6,7...)
Show SMILES O=C(c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H31N5O/c35-28(23-11-5-2-6-12-23)25-24-13-7-8-15-34(24)27-26(25)30-21-31-29(27)33-19-17-32(18-20-33)16-14-22-9-3-1-4-10-22/h1-6,9-12,21H,7-8,13-20H2
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n/an/a 1.37E+3n/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))		BDBM50140817
PNG
(4-{4-[2-(2-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C23H25N7O2/c24-15-18-20-7-3-4-9-29(20)22-21(18)25-16-26-23(22)28-13-11-27(12-14-28)10-8-17-5-1-2-6-19(17)30(31)32/h1-2,5-6,16H,3-4,7-14H2
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n/an/a 1.42E+3n/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))		BDBM50140813
PNG
(4-[4-(2-Oxo-2-phenyl-ethyl)-piperazin-1-yl]-6,7,8,...)
Show SMILES O=C(CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12)c1ccccc1
Show InChI InChI=1S/C23H24N6O/c24-14-18-19-8-4-5-9-29(19)22-21(18)25-16-26-23(22)28-12-10-27(11-13-28)15-20(30)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
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n/an/a 1.85E+3n/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))		BDBM50140822
PNG
(4-{4-[2-(3-Methoxy-phenyl)-ethyl]-piperazin-1-yl}-...)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C24H28N6O/c1-31-19-6-4-5-18(15-19)8-10-28-11-13-29(14-12-28)24-23-22(26-17-27-24)20(16-25)21-7-2-3-9-30(21)23/h4-6,15,17H,2-3,7-14H2,1H3
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n/an/a 2.30E+3n/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


(Mus musculus)		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 2.44E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay

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))		BDBM50140805
PNG
(1-[4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahyd...)
Show SMILES CCC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H31N5O/c1-2-21(31)22-20-10-6-7-12-30(20)24-23(22)26-18-27-25(24)29-16-14-28(15-17-29)13-11-19-8-4-3-5-9-19/h3-5,8-9,18H,2,6-7,10-17H2,1H3
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n/an/a 2.80E+3n/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
ATP-dependent translocase ABCB1


(Mus musculus)		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 3.40E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		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 3.70E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140812
PNG
(10-(5-Methyl-[1,2,4]oxadiazol-3-yl)-4-(4-phenethyl...)
Show SMILES Cc1nc(no1)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H29N7O/c1-18-28-24(29-33-18)21-20-9-5-6-11-32(20)23-22(21)26-17-27-25(23)31-15-13-30(14-16-31)12-10-19-7-3-2-4-8-19/h2-4,7-8,17H,5-6,9-16H2,1H3
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n/an/a 3.70E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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))		BDBM50140833
PNG
(4-(4-Chloro-benzylsulfanyl)-6,7,8,9-tetrahydro-5H-...)
Show SMILES Clc1ccc(CSc2ncnc3c(C#N)c4CCCCCn4c23)cc1
Show InChI InChI=1S/C19H17ClN4S/c20-14-7-5-13(6-8-14)11-25-19-18-17(22-12-23-19)15(10-21)16-4-2-1-3-9-24(16)18/h5-8,12H,1-4,9,11H2
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n/an/a 3.90E+3n/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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140798
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H30F2N6O/c1-2-28-25(34)21-20-5-3-4-9-33(20)23-22(21)29-16-30-24(23)32-13-11-31(12-14-32)10-8-17-6-7-18(26)19(27)15-17/h6-7,15-16H,2-5,8-14H2,1H3,(H,28,34)
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n/an/a 4.79E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140803
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C28H29F2N7O/c29-21-7-6-19(16-22(21)30)8-11-35-12-14-36(15-13-35)27-26-25(32-18-33-27)24(23-5-1-2-10-37(23)26)28(38)34-20-4-3-9-31-17-20/h3-4,6-7,9,16-18H,1-2,5,8,10-15H2,(H,34,38)
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n/an/a 4.95E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140818
PNG
(4-(4-Phenethyl-piperazin-1-yl)-2-phenyl-6,7,8,9-te...)
Show SMILES N#Cc1c2CCCCn2c2c(nc(nc12)-c1ccccc1)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C29H30N6/c30-21-24-25-13-7-8-15-35(25)27-26(24)31-28(23-11-5-2-6-12-23)32-29(27)34-19-17-33(18-20-34)16-14-22-9-3-1-4-10-22/h1-6,9-12H,7-8,13-20H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140827
PNG
(CHEMBL27524 | N-(10-Cyano-6,7,8,9-tetrahydro-pyrim...)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C18H17N5O2S/c19-10-14-15-8-4-5-9-23(15)17-16(14)20-12-21-18(17)22-26(24,25)11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140821
PNG
(4-{4-[2-(1H-Indol-3-yl)-ethyl]-piperazin-1-yl}-6,7...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H27N7/c26-15-20-22-7-3-4-9-32(22)24-23(20)28-17-29-25(24)31-13-11-30(12-14-31)10-8-18-16-27-21-6-2-1-5-19(18)21/h1-2,5-6,16-17,27H,3-4,7-14H2
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n/an/a 5.82E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140816
PNG
(10-(4,5-Dimethyl-thiazol-2-yl)-4-(4-phenethyl-pipe...)
Show SMILES Cc1nc(sc1C)-c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C27H32N6S/c1-19-20(2)34-27(30-19)23-22-10-6-7-12-33(22)25-24(23)28-18-29-26(25)32-16-14-31(15-17-32)13-11-21-8-4-3-5-9-21/h3-5,8-9,18H,6-7,10-17H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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))		BDBM50140832
PNG
(4-Phenethylamino-6,7,8,9-tetrahydro-pyrimido[4,5-b...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H19N5/c20-12-15-16-8-4-5-11-24(16)18-17(15)22-13-23-19(18)21-10-9-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,21,22,23)
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n/an/a 6.30E+3n/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))		BDBM50140826
PNG
(4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylamino]...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCN3CCc4ccccc4C3)ncnc12
Show InChI InChI=1S/C22H24N6/c23-13-18-19-7-3-4-10-28(19)21-20(18)25-15-26-22(21)24-9-12-27-11-8-16-5-1-2-6-17(16)14-27/h1-2,5-6,15H,3-4,7-12,14H2,(H,24,25,26)
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n/an/a 6.35E+3n/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))		BDBM50140824
PNG
(4-(4-Phenylmethanesulfonyl-piperazin-1-yl)-6,7,8,9...)
Show SMILES O=S(=O)(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C22H24N6O2S/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)26-10-12-27(13-11-26)31(29,30)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
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n/an/a 6.65E+3n/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))		BDBM50140807
PNG
(4-[4-(3-Phenyl-propyl)-piperazin-1-yl]-6,7,8,9-tet...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H28N6/c25-17-20-21-10-4-5-12-30(21)23-22(20)26-18-27-24(23)29-15-13-28(14-16-29)11-6-9-19-7-2-1-3-8-19/h1-3,7-8,18H,4-6,9-16H2
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n/an/a 7.35E+3n/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))		BDBM50140815
PNG
(4-(Methyl-phenethyl-amino)-6,7,8,9-tetrahydro-pyri...)
Show SMILES CN(CCc1ccccc1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C20H21N5/c1-24(12-10-15-7-3-2-4-8-15)20-19-18(22-14-23-20)16(13-21)17-9-5-6-11-25(17)19/h2-4,7-8,14H,5-6,9-12H2,1H3
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n/an/a 9.00E+3n/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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140828
PNG
(4-{4-[2-(4-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
Show InChI InChI=1S/C23H25ClN6/c24-18-6-4-17(5-7-18)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)19(15-25)20-3-1-2-9-30(20)22/h4-7,16H,1-3,8-14H2
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n/an/a 9.20E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140829
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H26N6/c24-16-19-20-8-4-5-10-29(20)22-21(19)25-17-26-23(22)28-14-12-27(13-15-28)11-9-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,8-15H2
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n/an/a 9.63E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140802
PNG
(4-{4-[2-(3-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C23H25N7O2/c24-15-19-20-6-1-2-8-29(20)22-21(19)25-16-26-23(22)28-12-10-27(11-13-28)9-7-17-4-3-5-18(14-17)30(31)32/h3-5,14,16H,1-2,6-13H2
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n/an/a 9.67E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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


(Mus musculus)		BDBM50140803
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C28H29F2N7O/c29-21-7-6-19(16-22(21)30)8-11-35-12-14-36(15-13-35)27-26-25(32-18-33-27)24(23-5-1-2-10-37(23)26)28(38)34-20-4-3-9-31-17-20/h3-4,6-7,9,16-18H,1-2,5,8,10-15H2,(H,34,38)
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n/an/a 9.73E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay

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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140810
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C23H24F2N6/c24-18-5-4-16(13-19(18)25)6-8-29-9-11-30(12-10-29)23-22-21(27-15-28-23)17(14-26)20-3-1-2-7-31(20)22/h4-5,13,15H,1-3,6-12H2
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n/an/a 1.05E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140830
PNG
(4-{4-[2-(2-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C23H25ClN6/c24-19-6-2-1-5-17(19)8-10-28-11-13-29(14-12-28)23-22-21(26-16-27-23)18(15-25)20-7-3-4-9-30(20)22/h1-2,5-6,16H,3-4,7-14H2
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n/an/a 1.06E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140799
PNG
(CHEMBL282151 | [4-(4-Phenethyl-piperazin-1-yl)-6,7...)
Show SMILES O=C(c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H31N5O/c35-28(23-11-5-2-6-12-23)25-24-13-7-8-15-34(24)27-26(25)30-21-31-29(27)33-19-17-32(18-20-33)16-14-22-9-3-1-4-10-22/h1-6,9-12,21H,7-8,13-20H2
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n/an/a 1.07E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140831
PNG
(4-{4-[2-(4-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
Show InChI InChI=1S/C23H25N7O2/c24-15-19-20-3-1-2-9-29(20)22-21(19)25-16-26-23(22)28-13-11-27(12-14-28)10-8-17-4-6-18(7-5-17)30(31)32/h4-7,16H,1-3,8-14H2
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n/an/a 1.29E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140807
PNG
(4-[4-(3-Phenyl-propyl)-piperazin-1-yl]-6,7,8,9-tet...)
Show SMILES N#Cc1c2CCCCn2c2c(ncnc12)N1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C24H28N6/c25-17-20-21-10-4-5-12-30(21)23-22(20)26-18-27-24(23)29-15-13-28(14-16-29)11-6-9-19-7-2-1-3-8-19/h1-3,7-8,18H,4-6,9-16H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140800
PNG
(2-Iodo-4-(4-phenethyl-piperazin-1-yl)-6,7,8,9-tetr...)
Show SMILES Ic1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C23H25IN6/c24-23-26-20-18(16-25)19-8-4-5-10-30(19)21(20)22(27-23)29-14-12-28(13-15-29)11-9-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2
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n/an/a 1.31E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140824
PNG
(4-(4-Phenylmethanesulfonyl-piperazin-1-yl)-6,7,8,9...)
Show SMILES O=S(=O)(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C22H24N6O2S/c23-14-18-19-8-4-5-9-28(19)21-20(18)24-16-25-22(21)26-10-12-27(13-11-26)31(29,30)15-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140832
PNG
(4-Phenethylamino-6,7,8,9-tetrahydro-pyrimido[4,5-b...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCc3ccccc3)ncnc12
Show InChI InChI=1S/C19H19N5/c20-12-15-16-8-4-5-11-24(16)18-17(15)22-13-23-19(18)21-10-9-14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,21,22,23)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140822
PNG
(4-{4-[2-(3-Methoxy-phenyl)-ethyl]-piperazin-1-yl}-...)
Show SMILES COc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C24H28N6O/c1-31-19-6-4-5-18(15-19)8-10-28-11-13-29(14-12-28)24-23-22(26-17-27-24)20(16-25)21-7-2-3-9-30(21)23/h4-6,15,17H,2-3,7-14H2,1H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140819
PNG
(4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-...)
Show SMILES COC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C24H29N5O2/c1-31-24(30)20-19-9-5-6-11-29(19)22-21(20)25-17-26-23(22)28-15-13-27(14-16-28)12-10-18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140808
PNG
(4-{4-[2-(3-Chloro-phenyl)-ethyl]-piperazin-1-yl}-6...)
Show SMILES Clc1cccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)c1
Show InChI InChI=1S/C23H25ClN6/c24-18-5-3-4-17(14-18)7-9-28-10-12-29(13-11-28)23-22-21(26-16-27-23)19(15-25)20-6-1-2-8-30(20)22/h3-5,14,16H,1-2,6-13H2
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n/an/a 1.79E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140809
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C30H30F2N6/c1-20-6-2-3-7-22(20)29-34-27-23(19-33)26-8-4-5-12-38(26)28(27)30(35-29)37-16-14-36(15-17-37)13-11-21-9-10-24(31)25(32)18-21/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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))		BDBM50140827
PNG
(CHEMBL27524 | N-(10-Cyano-6,7,8,9-tetrahydro-pyrim...)
Show SMILES O=S(=O)(Cc1ccccc1)Nc1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C18H17N5O2S/c19-10-14-15-8-4-5-9-23(15)17-16(14)20-12-21-18(17)22-26(24,25)11-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-9,11H2,(H,20,21,22)
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n/an/a 2.09E+4n/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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140813
PNG
(4-[4-(2-Oxo-2-phenyl-ethyl)-piperazin-1-yl]-6,7,8,...)
Show SMILES O=C(CN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12)c1ccccc1
Show InChI InChI=1S/C23H24N6O/c24-14-18-19-8-4-5-9-29(19)22-21(18)25-16-26-23(22)28-12-10-27(11-13-28)15-20(30)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-13,15H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140823
PNG
(CHEMBL283835 | N-{4-[10-Cyano-4-(4-phenethyl-piper...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc(N2CCN(CCc3ccccc3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C31H33N7O/c1-22(39)33-25-12-10-24(11-13-25)30-34-28-26(21-32)27-9-5-6-15-38(27)29(28)31(35-30)37-19-17-36(18-20-37)16-14-23-7-3-2-4-8-23/h2-4,7-8,10-13H,5-6,9,14-20H2,1H3,(H,33,39)
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n/an/a 2.37E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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


(Mus musculus)		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 3.02E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay

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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140815
PNG
(4-(Methyl-phenethyl-amino)-6,7,8,9-tetrahydro-pyri...)
Show SMILES CN(CCc1ccccc1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C20H21N5/c1-24(12-10-15-7-3-2-4-8-15)20-19-18(22-14-23-20)16(13-21)17-9-5-6-11-25(17)19/h2-4,7-8,14H,5-6,9-12H2,1H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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


(Mus musculus)		BDBM50140806
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H26F2N6O/c24-16-5-4-15(13-17(16)25)6-8-29-9-11-30(12-10-29)23-21-20(27-14-28-23)19(22(26)32)18-3-1-2-7-31(18)21/h4-5,13-14H,1-3,6-12H2,(H2,26,32)
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n/an/a 4.58E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay

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))		BDBM50140811
PNG
(4-{4-[2-(4-Methoxy-phenyl)-ethyl]-piperazin-1-yl}-...)
Show SMILES COc1ccc(CCN2CCN(CC2)c2ncnc3c(C#N)c4CCCCn4c23)cc1
Show InChI InChI=1S/C24H28N6O/c1-31-19-7-5-18(6-8-19)9-11-28-12-14-29(15-13-28)24-23-22(26-17-27-24)20(16-25)21-4-2-3-10-30(21)23/h5-8,17H,2-4,9-15H2,1H3
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n/an/a>5.00E+4n/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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140805
PNG
(1-[4-(4-Phenethyl-piperazin-1-yl)-6,7,8,9-tetrahyd...)
Show SMILES CCC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C25H31N5O/c1-2-21(31)22-20-10-6-7-12-30(20)24-23(22)26-18-27-25(24)29-16-14-28(15-17-29)13-11-19-8-4-3-5-9-19/h3-5,8-9,18H,2,6-7,10-17H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140806
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H26F2N6O/c24-16-5-4-15(13-17(16)25)6-8-29-9-11-30(12-10-29)23-21-20(27-14-28-23)19(22(26)32)18-3-1-2-7-31(18)21/h4-5,13-14H,1-3,6-12H2,(H2,26,32)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140826
PNG
(4-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylamino]...)
Show SMILES N#Cc1c2CCCCn2c2c(NCCN3CCc4ccccc4C3)ncnc12
Show InChI InChI=1S/C22H24N6/c23-13-18-19-7-3-4-10-28(19)21-20(18)25-15-26-22(21)24-9-12-27-11-8-16-5-1-2-6-17(16)14-27/h1-2,5-6,15H,3-4,7-12,14H2,(H,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140801
PNG
(4-(4-Phenethyl-piperazin-1-yl)-10-pyrimidin-2-yl-6...)
Show SMILES C(Cc1ccccc1)N1CCN(CC1)c1ncnc2c(c3CCCCn3c12)-c1ncccn1
Show InChI InChI=1S/C26H29N7/c1-2-7-20(8-3-1)10-14-31-15-17-32(18-16-31)26-24-23(29-19-30-26)22(25-27-11-6-12-28-25)21-9-4-5-13-33(21)24/h1-3,6-8,11-12,19H,4-5,9-10,13-18H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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
ATP-dependent translocase ABCB1


(Mus musculus)		BDBM50140817
PNG
(4-{4-[2-(2-Nitro-phenyl)-ethyl]-piperazin-1-yl}-6,...)
Show SMILES [O-][N+](=O)c1ccccc1CCN1CCN(CC1)c1ncnc2c(C#N)c3CCCCn3c12
Show InChI InChI=1S/C23H25N7O2/c24-15-18-20-7-3-4-9-29(20)22-21(18)25-16-26-23(22)28-13-11-27(12-14-28)10-8-17-5-1-2-6-19(17)30(31)32/h1-2,5-6,16H,3-4,7-14H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse transporter Pgp (P-glycoprotein) expressed in EMT6/AR1.0 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


(Mus musculus)		BDBM50140798
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H30F2N6O/c1-2-28-25(34)21-20-5-3-4-9-33(20)23-22(21)29-16-30-24(23)32-13-11-31(12-14-32)10-8-17-6-7-18(26)19(27)15-17/h6-7,15-16H,2-5,8-14H2,1H3,(H,28,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration to inhibit MRP1 in CYP 3A4 assay

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


(Mus musculus)		BDBM50140803
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Fc1ccc(CCN2CCN(CC2)c2ncnc3c(C(=O)Nc4cccnc4)c4CCCCn4c23)cc1F
Show InChI InChI=1S/C28H29F2N7O/c29-21-7-6-19(16-22(21)30)8-11-35-12-14-36(15-13-35)27-26-25(32-18-33-27)24(23-5-1-2-10-37(23)26)28(38)34-20-4-3-9-31-17-20/h3-4,6-7,9,16-18H,1-2,5,8,10-15H2,(H,34,38)
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n/an/an/an/a 235n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay

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


(Mus musculus)		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/an/an/a 97n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay

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


(Mus musculus)		BDBM50140806
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES NC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C23H26F2N6O/c24-16-5-4-15(13-17(16)25)6-8-29-9-11-30(12-10-29)23-21-20(27-14-28-23)19(22(26)32)18-3-1-2-7-31(18)21/h4-5,13-14H,1-3,6-12H2,(H2,26,32)
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n/an/an/an/a 117n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay

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


(Mus musculus)		BDBM50140798
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES CCNC(=O)c1c2CCCCn2c2c(ncnc12)N1CCN(CCc2ccc(F)c(F)c2)CC1
Show InChI InChI=1S/C25H30F2N6O/c1-2-28-25(34)21-20-5-3-4-9-33(20)23-22(21)29-16-30-24(23)32-13-11-31(12-14-32)10-8-17-6-7-18(26)19(27)15-17/h6-7,15-16H,2-5,8-14H2,1H3,(H,28,34)
PDB
MMDB

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n/an/an/an/a 100n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay

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


(Mus musculus)		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/an/an/a 150n/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Effective concentration of the compound to inhibit MRP1 in potentiation assay

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
* indicates data uncertainty>20%