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21 similar compounds to monomer 50109790

Wt: 519.0
BDBM50109782
Wt: 514.6
BDBM50109783
Wt: 484.5
BDBM50109785
Wt: 483.6
BDBM50109786
Wt: 517.6
BDBM50109787
Wt: 498.6
BDBM50109788
Wt: 457.5
BDBM50109791
Wt: 529.5
BDBM50109793
Wt: 486.6
BDBM50109794
Wt: 441.5
BDBM50109795
Wt: 484.5
BDBM50109796
Wt: 519.0
BDBM50109797
Wt: 499.6
BDBM50109798
Wt: 483.6
BDBM50109800
Wt: 499.6
BDBM50109801
Displayed 1 to 15 (of 21 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50109782,50109783,50109785,50109786,50109787,50109788,50109791,50109793,50109794,50109795,50109796,50109797,50109798,50109800,50109801   
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)
BDBM50109782
PNG
(6-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(Cl)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-10-7-22(30)17-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18H2,1-4H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109793
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(cc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31N5O5/c1-31(2)22-7-5-19(6-8-22)28-30-25-10-9-23(34(36)37)17-24(25)29(35)33(28)14-13-32-12-11-20-15-26(38-3)27(39-4)16-21(20)18-32/h5-10,15-17H,11-14,18H2,1-4H3
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n/an/a 400n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109786
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C30H33N3O3/c1-4-8-21-9-7-10-23(17-21)29-31-26-12-6-5-11-25(26)30(34)33(29)16-15-32-14-13-22-18-27(35-2)28(36-3)19-24(22)20-32/h5-7,9-12,17-19H,4,8,13-16,20H2,1-3H3
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Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109785
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3cccc(c3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H32N4O3/c1-31(2)23-9-7-8-21(16-23)28-30-25-11-6-5-10-24(25)29(34)33(28)15-14-32-13-12-20-17-26(35-3)27(36-4)18-22(20)19-32/h5-11,16-18H,12-15,19H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109794
PNG
(3-(2-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amin...)
Show SMILES COc1ccc(CCN(C)CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)cc1OC
Show InChI InChI=1S/C29H34N4O3/c1-31(2)23-13-11-22(12-14-23)28-30-25-9-7-6-8-24(25)29(34)33(28)19-18-32(3)17-16-21-10-15-26(35-4)27(20-21)36-5/h6-15,20H,16-19H2,1-5H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109793
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(cc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31N5O5/c1-31(2)22-7-5-19(6-8-22)28-30-25-10-9-23(34(36)37)17-24(25)29(35)33(28)14-13-32-12-11-20-15-26(38-3)27(39-4)16-21(20)18-32/h5-10,15-17H,11-14,18H2,1-4H3
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Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109787
PNG
(2-Biphenyl-4-yl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C33H31N3O3/c1-38-30-20-26-16-17-35(22-27(26)21-31(30)39-2)18-19-36-32(34-29-11-7-6-10-28(29)33(36)37)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,20-21H,16-19,22H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109798
PNG
(6-Amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(N)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H33N5O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-10-7-22(30)17-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18,30H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109800
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)C(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H33N3O3/c1-20(2)21-9-11-22(12-10-21)29-31-26-8-6-5-7-25(26)30(34)33(29)16-15-32-14-13-23-17-27(35-3)28(36-4)18-24(23)19-32/h5-12,17-18,20H,13-16,19H2,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109801
PNG
(7-Amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCn3c(nc4cc(N)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H33N5O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-17-22(30)7-10-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18,30H2,1-4H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109796
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H32N4O3/c1-31(2)23-11-9-20(10-12-23)28-30-25-8-6-5-7-24(25)29(34)33(28)16-15-32-14-13-21-17-26(35-3)27(36-4)18-22(21)19-32/h5-12,17-18H,13-16,19H2,1-4H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109788
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(C)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H34N4O3/c1-20-7-6-8-25-28(20)31-29(21-9-11-24(12-10-21)32(2)3)34(30(25)35)16-15-33-14-13-22-17-26(36-4)27(37-5)18-23(22)19-33/h6-12,17-18H,13-16,19H2,1-5H3
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n/an/a 630n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109795
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C27H27N3O3/c1-32-24-16-20-12-13-29(18-21(20)17-25(24)33-2)14-15-30-26(19-8-4-3-5-9-19)28-23-11-7-6-10-22(23)27(30)31/h3-11,16-17H,12-15,18H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109797
PNG
(8-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(Cl)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)22-10-8-19(9-11-22)28-31-27-23(6-5-7-24(27)30)29(35)34(28)15-14-33-13-12-20-16-25(36-3)26(37-4)17-21(20)18-33/h5-11,16-17H,12-15,18H2,1-4H3
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n/an/a 1.06E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109800
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)C(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H33N3O3/c1-20(2)21-9-11-22(12-10-21)29-31-26-8-6-5-7-25(26)30(34)33(29)16-15-32-14-13-23-17-27(35-3)28(36-4)18-24(23)19-32/h5-12,17-18,20H,13-16,19H2,1-4H3
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n/an/a 500n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109796
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H32N4O3/c1-31(2)23-11-9-20(10-12-23)28-30-25-8-6-5-7-24(25)29(34)33(28)16-15-32-14-13-21-17-26(35-3)27(36-4)18-22(21)19-32/h5-12,17-18H,13-16,19H2,1-4H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109798
PNG
(6-Amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(N)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H33N5O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-10-7-22(30)17-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18,30H2,1-4H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109783
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(OC)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H34N4O4/c1-32(2)23-11-9-20(10-12-23)29-31-28-24(7-6-8-25(28)36-3)30(35)34(29)16-15-33-14-13-21-17-26(37-4)27(38-5)18-22(21)19-33/h6-12,17-18H,13-16,19H2,1-5H3
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n/an/a 1.51E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109785
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3cccc(c3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H32N4O3/c1-31(2)23-9-7-8-21(16-23)28-30-25-11-6-5-10-24(25)29(34)33(28)15-14-32-13-12-20-17-26(35-3)27(36-4)18-22(20)19-32/h5-11,16-18H,12-15,19H2,1-4H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109791
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3O)Cc2cc1OC
Show InChI InChI=1S/C27H27N3O4/c1-33-24-15-18-11-12-29(17-19(18)16-25(24)34-2)13-14-30-26(21-8-4-6-10-23(21)31)28-22-9-5-3-7-20(22)27(30)32/h3-10,15-16,31H,11-14,17H2,1-2H3
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n/an/a 9.50E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109795
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C27H27N3O3/c1-32-24-16-20-12-13-29(18-21(20)17-25(24)33-2)14-15-30-26(19-8-4-3-5-9-19)28-23-11-7-6-10-22(23)27(30)31/h3-11,16-17H,12-15,18H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109801
PNG
(7-Amino-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquin...)
Show SMILES COc1cc2CCN(CCn3c(nc4cc(N)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H33N5O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-17-22(30)7-10-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18,30H2,1-4H3
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n/an/a 1.86E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109788
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(C)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H34N4O3/c1-20-7-6-8-25-28(20)31-29(21-9-11-24(12-10-21)32(2)3)34(30(25)35)16-15-33-14-13-22-17-26(36-4)27(37-5)18-23(22)19-33/h6-12,17-18H,13-16,19H2,1-5H3
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n/an/a 6.35E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109797
PNG
(8-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(Cl)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)22-10-8-19(9-11-22)28-31-27-23(6-5-7-24(27)30)29(35)34(28)15-14-33-13-12-20-16-25(36-3)26(37-4)17-21(20)18-33/h5-11,16-17H,12-15,18H2,1-4H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109782
PNG
(6-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(Cl)cc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-10-7-22(30)17-24(25)29(35)34(28)14-13-33-12-11-20-15-26(36-3)27(37-4)16-21(20)18-33/h5-10,15-17H,11-14,18H2,1-4H3
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n/an/a 1.56E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109794
PNG
(3-(2-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amin...)
Show SMILES COc1ccc(CCN(C)CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)cc1OC
Show InChI InChI=1S/C29H34N4O3/c1-31(2)23-13-11-22(12-14-23)28-30-25-9-7-6-8-24(25)29(34)33(28)19-18-32(3)17-16-21-10-15-26(35-4)27(20-21)36-5/h6-15,20H,16-19H2,1-5H3
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n/an/a 3.70E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109787
PNG
(2-Biphenyl-4-yl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C33H31N3O3/c1-38-30-20-26-16-17-35(22-27(26)21-31(30)39-2)18-19-36-32(34-29-11-7-6-10-28(29)33(36)37)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,20-21H,16-19,22H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50109786
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES CCCc1cccc(c1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C30H33N3O3/c1-4-8-21-9-7-10-23(17-21)29-31-26-12-6-5-11-25(26)30(34)33(29)16-15-32-14-13-22-18-27(35-2)28(36-3)19-24(22)20-32/h5-7,9-12,17-19H,4,8,13-16,20H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

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


(Mus musculus)
BDBM50109783
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4c(OC)cccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C30H34N4O4/c1-32(2)23-11-9-20(10-12-23)29-31-28-24(7-6-8-25(28)36-3)30(35)34(29)16-15-33-14-13-21-17-26(37-4)27(38-5)18-22(21)19-33/h6-12,17-18H,13-16,19H2,1-5H3
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n/an/a 50n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair