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21 similar compounds to monomer 50140804

Wt: 512.3
BDBM50140800
Wt: 439.5
BDBM50140801
Wt: 431.4
BDBM50140802
Wt: 400.5
BDBM50140807
Wt: 420.9
BDBM50140808
Wt: 512.5
BDBM50140809
Wt: 422.4
BDBM50140810
Wt: 416.5
BDBM50140811
Wt: 400.4
BDBM50140813
Wt: 499.5
BDBM50140814
Wt: 331.4
BDBM50140815
Wt: 431.4
BDBM50140817
Wt: 462.5
BDBM50140818
Wt: 425.5
BDBM50140821
Wt: 416.5
BDBM50140822
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50140800,50140801,50140802,50140807,50140808,50140809,50140810,50140811,50140813,50140814,50140815,50140817,50140818,50140821,50140822   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
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<250n/an/an/an/an/an/a



M.D. University

Curated by ChEMBL


Assay Description
Inhibitory concentration against multidrug resistance associated protein 1


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/a 600n/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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


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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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/a 620n/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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/a 675n/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


Citation and Details
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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n/an/a 410n/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


Citation and Details
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<250n/an/an/an/an/an/a



M.D. University

Curated by ChEMBL


Assay Description
Inhibitory concentration against multidrug resistance associated protein 1


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(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


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Ligand-Target Pair