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3 similar compounds to monomer 50140867

Compile data set for download or QSAR
Wt: 542.0
BDBM50140850
Wt: 442.8
BDBM50140859
Wt: 442.8
BDBM50140869

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50140850,50140859,50140869   
Target/Host
(Institution)
LigandTarget/Host
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
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 90n/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))
BDBM50140869
PNG
(7-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H21ClF2N6/c1-29-18-11-19(23)26-12-15(18)20-21(29)22(28-13-27-20)31-8-6-30(7-9-31)5-4-14-2-3-16(24)17(25)10-14/h2-3,10-13H,4-9H2,1H3
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n/an/a 1.20E+3n/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))
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))
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 130n/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))
BDBM50140869
PNG
(7-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H21ClF2N6/c1-29-18-11-19(23)26-12-15(18)20-21(29)22(28-13-27-20)31-8-6-30(7-9-31)5-4-14-2-3-16(24)17(25)10-14/h2-3,10-13H,4-9H2,1H3
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n/an/a 87n/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))
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
P-glycoprotein (P-gp)


(Mus musculus (Mouse))
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 1.22E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 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<250n/an/an/an/an/an/a



M.D. University

Curated by ChEMBL


Assay Description
Inhibitory concentration against multidrug resistance associated protein 1


Bioorg Med Chem Lett 15: 4967-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.011
BindingDB Entry DOI: 10.7270/Q2X34X15
More data for this
Ligand-Target Pair
P-glycoprotein (P-gp)


(Mus musculus (Mouse))
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 2.47E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 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
P-glycoprotein (P-gp)


(Mus musculus (Mouse))
BDBM50140869
PNG
(7-Chloro-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-pipe...)
Show SMILES Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12
Show InChI InChI=1S/C22H21ClF2N6/c1-29-18-11-19(23)26-12-15(18)20-21(29)22(28-13-27-20)31-8-6-30(7-9-31)5-4-14-2-3-16(24)17(25)10-14/h2-3,10-13H,4-9H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 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
Cytochrome P450 3A


(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 2.00E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytochrome P450 3A4


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
Cytochrome P450 3A


(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 9.44E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against cytochrome P450 3A4


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))
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<250n/an/an/an/an/an/a



M.D. University

Curated by ChEMBL


Assay Description
Inhibitory concentration against multidrug resistance associated protein 1


Bioorg Med Chem Lett 15: 4967-72 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.011
BindingDB Entry DOI: 10.7270/Q2X34X15
More data for this
Ligand-Target Pair