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Compile Data Set for Download or QSAR

Found 89 hits of affinity data for UniProtKB/TrEMBL: P06795   
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
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.


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


(Mus musculus)
BDBM50375811
PNG
(CHEMBL444075 | XR-9544)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C36H34N4O4/c1-43-33-20-25-16-18-40(23-28(25)21-34(33)44-2)17-15-24-11-13-29(14-12-24)38-36(42)30-8-4-6-10-32(30)39-35(41)27-19-26-7-3-5-9-31(26)37-22-27/h3-14,19-22H,15-18,23H2,1-2H3,(H,38,42)(H,39,41)
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n/an/a 50n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Bioorg Med Chem 16: 2448-62 (2008)

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


(Mus musculus)
BDBM50075373
PNG
(1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
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n/an/a 64n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Bioorg Med Chem 16: 2448-62 (2008)

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


(Mus musculus)
BDBM50109790
PNG
(5-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4cccc(Cl)c4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)22-10-8-19(9-11-22)28-31-24-7-5-6-23(30)27(24)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 160n/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.


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


(Mus musculus)
BDBM50375812
PNG
(CHEMBL258896 | XR-9504)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(C)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C34H35N3O4/c1-23-8-12-25(13-9-23)33(38)36-30-7-5-4-6-29(30)34(39)35-28-14-10-24(11-15-28)16-18-37-19-17-26-20-31(40-2)32(41-3)21-27(26)22-37/h4-15,20-21H,16-19,22H2,1-3H3,(H,35,39)(H,36,38)
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n/an/a 260n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Bioorg Med Chem 16: 2448-62 (2008)

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


(Mus musculus)
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Bioorg Med Chem 16: 2448-62 (2008)

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


(Mus musculus)
BDBM50375813
PNG
(CHEMBL428402 | XR-9577)
Show SMILES O=C(Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1)c1cnc2ccccc2c1
Show InChI InChI=1S/C34H30N4O2/c39-33(28-21-26-8-3-5-11-31(26)35-22-28)37-32-12-6-4-10-30(32)34(40)36-29-15-13-24(14-16-29)17-19-38-20-18-25-7-1-2-9-27(25)23-38/h1-16,21-22H,17-20,23H2,(H,36,40)(H,37,39)
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n/an/a 320n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Bioorg Med Chem 16: 2448-62 (2008)

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


(Mus musculus)
BDBM50109789
PNG
(2-(4-Dimethylamino-phenyl)-3-[2-(4-pyrimidin-2-yl-...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C26H29N7O/c1-30(2)21-10-8-20(9-11-21)24-29-23-7-4-3-6-22(23)25(34)33(24)19-16-31-14-17-32(18-15-31)26-27-12-5-13-28-26/h3-13H,14-19H2,1-2H3
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n/an/a 390n/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.


Citation and Details
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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n/an/a 600n/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.


Citation and Details
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.


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


(Mus musculus)
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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


(Mus musculus)
BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/a 700n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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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n/an/a 800n/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.


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


(Mus musculus)
BDBM50109809
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4ccccc4c3)Cc2cc1OC
Show InChI InChI=1S/C31H29N3O3/c1-36-28-18-23-13-14-33(20-25(23)19-29(28)37-2)15-16-34-30(32-27-10-6-5-9-26(27)31(34)35)24-12-11-21-7-3-4-8-22(21)17-24/h3-12,17-19H,13-16,20H2,1-2H3
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n/an/a 850n/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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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.


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


(Mus musculus)
BDBM50109806
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4cc(ccc4c3=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)28-30-25-17-23(34(36)37)9-10-24(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 1.10E+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.


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


(Mus musculus)
BDBM50109810
PNG
(2-(4-Diethylamino-phenyl)-3-[2-(6,7-dimethoxy-3,4-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C31H36N4O3/c1-5-34(6-2)25-13-11-22(12-14-25)30-32-27-10-8-7-9-26(27)31(36)35(30)18-17-33-16-15-23-19-28(37-3)29(38-4)20-24(23)21-33/h7-14,19-20H,5-6,15-18,21H2,1-4H3
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n/an/a 1.30E+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.


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


(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)

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


(Mus musculus)
BDBM50109805
PNG
(7-Chloro-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoqui...)
Show SMILES COc1cc2CCN(CCn3c(nc4cc(Cl)ccc4c3=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31ClN4O3/c1-32(2)23-8-5-19(6-9-23)28-31-25-17-22(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,11-14,18H2,1-4H3
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n/an/a 1.35E+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.


Citation and Details
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.


Citation and Details
More data for this
Ligand-Target Pair
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.


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


(Mus musculus)
BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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.


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


(Mus musculus)
BDBM31772
PNG
(1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...)
Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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


(Mus musculus)
BDBM50017376
PNG
((+/-)1-(4-tert-butylphenyl)-4-(4-(hydroxydiphenylm...)
Show SMILES CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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.


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


(Mus musculus)
BDBM50109804
PNG
(3-[2-(4-Benzyl-piperazin-1-yl)-ethyl]-2-(4-dimethy...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C29H33N5O/c1-31(2)25-14-12-24(13-15-25)28-30-27-11-7-6-10-26(27)29(35)34(28)21-20-32-16-18-33(19-17-32)22-23-8-4-3-5-9-23/h3-15H,16-22H2,1-2H3
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n/an/a 2.10E+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.


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


(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)

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


(Mus musculus)
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 3.50E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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


(Mus musculus)
BDBM50109802
PNG
(2-Benzo[1,3]dioxol-5-yl-3-[2-(6,7-dimethoxy-3,4-di...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc4OCOc4c3)Cc2cc1OC
Show InChI InChI=1S/C28H27N3O5/c1-33-24-13-18-9-10-30(16-20(18)15-25(24)34-2)11-12-31-27(19-7-8-23-26(14-19)36-17-35-23)29-22-6-4-3-5-21(22)28(31)32/h3-8,13-15H,9-12,16-17H2,1-2H3
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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 P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


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


(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)

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


(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)

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


(Mus musculus)
BDBM50109784
PNG
(2-(4-Dimethylamino-phenyl)-3-{2-[4-(3,4,5-trimetho...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N1CCN(CCn2c(nc3ccccc3c2=O)-c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C32H37N5O5/c1-34(2)24-12-10-22(11-13-24)30-33-26-9-7-6-8-25(26)32(39)37(30)19-16-35-14-17-36(18-15-35)31(38)23-20-27(40-3)29(42-5)28(21-23)41-4/h6-13,20-21H,14-19H2,1-5H3
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n/an/a 4.20E+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.


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


(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)

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


(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)

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


(Mus musculus)
BDBM50109811
PNG
((S)-1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-p...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
Show InChI InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
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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 P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


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


J Med Chem 47: 1329-38 (2004)

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


(Mus musculus)
BDBM50109808
PNG
(3-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethyl]-2-(4...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2ccccc2C1
Show InChI InChI=1S/C27H28N4O/c1-29(2)23-13-11-21(12-14-23)26-28-25-10-6-5-9-24(25)27(32)31(26)18-17-30-16-15-20-7-3-4-8-22(20)19-30/h3-14H,15-19H2,1-2H3
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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 P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


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


(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)

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


J Med Chem 47: 1329-38 (2004)

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


(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)

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.


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


(Mus musculus)
BDBM50367298
PNG
(Cardene | NICARDIPINE)
Show SMILES COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,22,24H,13-14,16H2,1-4H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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


(Mus musculus)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assay


J Med Chem 46: 1716-25 (2003)

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.


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


(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)

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


(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)

More data for this
Ligand-Target Pair
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