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Compile Data Set for Download or QSAR

Found 448 hits of ec50 data for polymerid = 50001157,7531   
Target
(Institution)
LigandTarget
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


(Homo sapiens (Human))
BDBM50032249
PNG
(CHEMBL3352986)
Show SMILES COc1ccc(cc1)-c1ccc(OCCCCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C28H33NO4/c1-30-25-10-6-21(7-11-25)22-8-12-26(13-9-22)33-17-5-4-15-29-16-14-23-18-27(31-2)28(32-3)19-24(23)20-29/h6-13,18-19H,4-5,14-17,20H2,1-3H3
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n/an/an/an/a 4n/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...


J Med Chem 57: 9983-94 (2014)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50370885
PNG
(CHEMBL375243)
Show SMILES Cc1cccc(N2CCN(CC(O)COc3ccccc3C(=O)CCc3ccccc3)CC2)c1C
Show InChI InChI=1S/C30H36N2O3/c1-23-9-8-13-28(24(23)2)32-19-17-31(18-20-32)21-26(33)22-35-30-14-7-6-12-27(30)29(34)16-15-25-10-4-3-5-11-25/h3-14,26,33H,15-22H2,1-2H3
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n/an/an/an/a 6n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50009054
PNG
(CHEMBL3237954)
Show SMILES COc1cc(CCc2ccccc2OCc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Show InChI InChI=1S/C27H32O7/c1-28-22-13-18(14-23(29-2)26(22)32-5)11-12-20-9-7-8-10-21(20)34-17-19-15-24(30-3)27(33-6)25(16-19)31-4/h7-10,13-16H,11-12,17H2,1-6H3
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n/an/an/an/a 7.10n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence ass...


Eur J Med Chem 76: 558-66 (2014)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50370882
PNG
(CHEMBL222351)
Show SMILES CN(C)c1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C31H39N3O3/c1-24-8-4-6-10-29(24)34-20-18-33(19-21-34)22-27(35)23-37-31-11-7-5-9-28(31)30(36)17-14-25-12-15-26(16-13-25)32(2)3/h4-13,15-16,27,35H,14,17-23H2,1-3H3
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n/an/an/an/a 13n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207969
PNG
(1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES COc1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C30H36N2O4/c1-23-7-3-5-9-28(23)32-19-17-31(18-20-32)21-25(33)22-36-30-10-6-4-8-27(30)29(34)16-13-24-11-14-26(35-2)15-12-24/h3-12,14-15,25,33H,13,16-22H2,1-2H3
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n/an/an/an/a 14n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207919
PNG
(1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin...)
Show SMILES Cc1ccccc1N1CCN(CC(O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H32Cl2N2O3/c1-21-7-5-6-10-27(21)33-15-13-32(14-16-33)19-23(34)20-36-29-18-26(31)25(30)17-24(29)28(35)12-11-22-8-3-2-4-9-22/h2-10,17-18,23,34H,11-16,19-20H2,1H3
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n/an/an/an/a 17n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207961
PNG
(1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES Cc1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1
Show InChI InChI=1S/C30H36N2O3/c1-23-11-13-25(14-12-23)15-16-29(34)27-8-4-6-10-30(27)35-22-26(33)21-31-17-19-32(20-18-31)28-9-5-3-7-24(28)2/h3-14,26,33H,15-22H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207939
PNG
(3-(4-chlorophenyl)-1-(2-(2-hydroxy-3-(4-o-tolylpip...)
Show SMILES Cc1ccccc1N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C29H33ClN2O3/c1-22-6-2-4-8-27(22)32-18-16-31(17-19-32)20-25(33)21-35-29-9-5-3-7-26(29)28(34)15-12-23-10-13-24(30)14-11-23/h2-11,13-14,25,33H,12,15-21H2,1H3
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n/an/an/an/a 19n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207927
PNG
(1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES Cc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2C)c(c1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C30H36N2O3/c1-23-12-15-30(27(20-23)29(34)14-13-25-9-4-3-5-10-25)35-22-26(33)21-31-16-18-32(19-17-31)28-11-7-6-8-24(28)2/h3-12,15,20,26,33H,13-14,16-19,21-22H2,1-2H3
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n/an/an/an/a 26n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50015306
PNG
(CHEMBL3263842)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of ABCB1 (unknown origin) expressed in High Five insect cell membrane assessed as ATP hydrolysis


J Med Chem 57: 4058-72 (2014)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50135028
PNG
(1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES Cc1ccccc1N1CCN(CC(O)COc2ccccc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-9-5-7-13-27(23)31-19-17-30(18-20-31)21-25(32)22-34-29-14-8-6-12-26(29)28(33)16-15-24-10-3-2-4-11-24/h2-14,25,32H,15-22H2,1H3
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n/an/an/an/a 27n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
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/an/an/a 32n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival a...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50304587
PNG
((R,S)-N-(2-Benzoyl-4-[2-naphthoylamino)phenyl]-2-(...)
Show SMILES CN1CCN(CC1)C(C(=O)Nc1ccc(NC(=O)c2ccc3ccccc3c2)cc1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H34N4O3/c1-40-20-22-41(23-21-40)34(27-11-4-2-5-12-27)37(44)39-33-19-18-31(25-32(33)35(42)28-13-6-3-7-14-28)38-36(43)30-17-16-26-10-8-9-15-29(26)24-30/h2-19,24-25,34H,20-23H2,1H3,(H,38,43)(H,39,44)
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n/an/an/an/a 40n/an/an/an/a



Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 overexpressed in human CCRF-CEM/VCR1000 cell assessed as inhibition of daunomycin efflux after 30 mins by FACS analysis


Bioorg Med Chem 17: 7690-7 (2009)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207970
PNG
(3-(4-(dimethylamino)phenyl)-1-(2-(2-hydroxy-3-(4-o...)
Show SMILES COc1ccc(C(=O)CCc2ccc(cc2)N(C)C)c(OCC(O)CN2CCN(CC2)c2ccccc2C)c1
Show InChI InChI=1S/C32H41N3O4/c1-24-7-5-6-8-30(24)35-19-17-34(18-20-35)22-27(36)23-39-32-21-28(38-4)14-15-29(32)31(37)16-11-25-9-12-26(13-10-25)33(2)3/h5-10,12-15,21,27,36H,11,16-20,22-23H2,1-4H3
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n/an/an/an/a 40n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50304586
PNG
((R,S)-N-[2-Benzoyl-4-[N-(phenylsulfonyl)phenyl-sul...)
Show SMILES CN1CCN(CC1)C(C(=O)Nc1ccc(cc1C(=O)c1ccccc1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C38H36N4O6S2/c1-40-24-26-41(27-25-40)36(29-14-6-2-7-15-29)38(44)39-35-23-22-31(28-34(35)37(43)30-16-8-3-9-17-30)42(49(45,46)32-18-10-4-11-19-32)50(47,48)33-20-12-5-13-21-33/h2-23,28,36H,24-27H2,1H3,(H,39,44)
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Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 overexpressed in human CCRF-CEM/VCR1000 cell assessed as inhibition of daunomycin efflux after 30 mins by FACS analysis


Bioorg Med Chem 17: 7690-7 (2009)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
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/an/an/a 43n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
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/an/an/a 44n/an/an/an/a



Universit£ degli Studi di Bari 'A. Moro'

Curated by ChEMBL


Assay Description
Activity at MDR1 (unknown origin) expressed in MDCK cells using calcein AM as substrate incubated for 30 mins prior to substrate addition measured af...


Bioorg Med Chem Lett 23: 1370-4 (2013)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
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/an/an/a 44n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein (unknown origin) expressed in MDCK cells assessed as reduction of calcein-AM transport after 30 mins by fluorescence ass...


Eur J Med Chem 76: 558-66 (2014)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50134980
PNG
(1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c31-25(21-30-19-17-29(33,18-20-30)24-11-5-2-6-12-24)22-34-28-14-8-7-13-26(28)27(32)16-15-23-9-3-1-4-10-23/h1-14,25,31,33H,15-22H2
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n/an/an/an/a 58n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50209508
PNG
(CHEMBL242983 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
Show InChI InChI=1S/C38H39N5O6/c1-46-33-14-9-25(19-34(33)47-2)24-42-15-17-43(18-16-42)29-12-10-28(11-13-29)40-38(45)30-21-35(48-3)36(49-4)22-32(30)41-37(44)27-20-26-7-5-6-8-31(26)39-23-27/h5-14,19-23H,15-18,24H2,1-4H3,(H,40,45)(H,41,44)
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n/an/an/an/a 59n/an/an/an/a



Université Laval

Curated by ChEMBL


Assay Description
Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay


Bioorg Med Chem 15: 3854-68 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207966
PNG
(1-(5-chloro-2-(2-hydroxy-3-(4-o-tolylpiperazin-1-y...)
Show SMILES Cc1ccccc1N1CCN(CC(O)COc2ccc(Cl)cc2C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H33ClN2O3/c1-22-7-5-6-10-27(22)32-17-15-31(16-18-32)20-25(33)21-35-29-14-12-24(30)19-26(29)28(34)13-11-23-8-3-2-4-9-23/h2-10,12,14,19,25,33H,11,13,15-18,20-21H2,1H3
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n/an/an/an/a 59n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50304588
PNG
((R,S)-N-[2-Benzoyl-4-(3-phenylpropionyl)aminopheny...)
Show SMILES CN1CCN(CC1)C(C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H36N4O3/c1-38-21-23-39(24-22-38)33(27-13-7-3-8-14-27)35(42)37-31-19-18-29(25-30(31)34(41)28-15-9-4-10-16-28)36-32(40)20-17-26-11-5-2-6-12-26/h2-16,18-19,25,33H,17,20-24H2,1H3,(H,36,40)(H,37,42)
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n/an/an/an/a 60n/an/an/an/a



Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 overexpressed in human CCRF-CEM/VCR1000 cell assessed as inhibition of daunomycin efflux after 30 mins by FACS analysis


Bioorg Med Chem 17: 7690-7 (2009)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50034682
PNG
((R)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-py...)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,41H,11,18-23H2,1-3H3/t33-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.


J Med Chem 41: 4001-11 (1998)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50420228
PNG
(CHEMBL2074898)
Show SMILES CC[C@H](C)[C@@H]1N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](CC(=O)OC(C)(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H]2CCCCN2C(=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@H](C(C)C)N(C)C(=O)CNC1=O)C(C)C
Show InChI InChI=1S/C61H99N9O14/c1-21-37(9)50-52(73)62-33-45(71)66(16)48(35(5)6)53(74)63-42(31-40-26-28-41(82-20)29-27-40)60(81)83-39(11)55(76)70-30-24-23-25-43(70)56(77)67(17)49(36(7)8)54(75)64-47(34(3)4)58(79)65(15)44(32-46(72)84-61(12,13)14)57(78)69(19)51(38(10)22-2)59(80)68(50)18/h26-29,34-39,42-44,47-51H,21-25,30-33H2,1-20H3,(H,62,73)(H,63,74)(H,64,75)/t37-,38-,39+,42-,43+,44-,47+,48-,49+,50-,51-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-P388 cells


Anticancer Drugs 7: 568-78 (1997)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
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/an/an/a 68n/an/an/an/a



Université Laval

Curated by ChEMBL


Assay Description
Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay


Bioorg Med Chem 15: 3854-68 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50032261
PNG
(CHEMBL3352989)
Show SMILES COc1cccc(c1)-c1ccccc1CCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C26H29NO3/c1-28-23-9-6-8-21(15-23)24-10-5-4-7-19(24)11-13-27-14-12-20-16-25(29-2)26(30-3)17-22(20)18-27/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/an/an/a 69n/an/an/an/a



Universit£ degli Studi di Bari"A. Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...


J Med Chem 57: 9983-94 (2014)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50134991
PNG
(1-(2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydro...)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H31FN2O3/c29-23-11-13-24(14-12-23)31-18-16-30(17-19-31)20-25(32)21-34-28-9-5-4-8-26(28)27(33)15-10-22-6-2-1-3-7-22/h1-9,11-14,25,32H,10,15-21H2
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n/an/an/an/a 70n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207980
PNG
(1-(3-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...)
Show SMILES Cc1ccccc1N1CCN(CC(O)COc2cccc(c2)C(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C29H34N2O3/c1-23-8-5-6-13-28(23)31-18-16-30(17-19-31)21-26(32)22-34-27-12-7-11-25(20-27)29(33)15-14-24-9-3-2-4-10-24/h2-13,20,26,32H,14-19,21-22H2,1H3
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n/an/an/an/a 74n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50135037
PNG
(1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...)
Show SMILES OC(COc1ccccc1C(=O)CCc1cccc2ccccc12)CN1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C33H35NO4/c35-28(23-34-21-19-33(37,20-22-34)27-12-2-1-3-13-27)24-38-32-16-7-6-15-30(32)31(36)18-17-26-11-8-10-25-9-4-5-14-29(25)26/h1-16,28,35,37H,17-24H2
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n/an/an/an/a 75n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50234476
PNG
(CHEMBL272423 | N-(2,3-dimethoxybenzyl)-2-(3-methox...)
Show SMILES COc1cccc(CCc2ccccc2NCc2cccc(OC)c2OC)c1
Show InChI InChI=1S/C24H27NO3/c1-26-21-11-6-8-18(16-21)14-15-19-9-4-5-12-22(19)25-17-20-10-7-13-23(27-2)24(20)28-3/h4-13,16,25H,14-15,17H2,1-3H3
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n/an/an/an/a 85n/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells


J Med Chem 51: 1415-22 (2008)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50370896
PNG
(CHEMBL389268)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1
Show InChI InChI=1S/C30H32N2O3S2/c1-6-7-14-35-24-11-8-22(9-12-24)29(34)31-23-10-13-26-27(16-23)37-30(32-26)36-17-25-18(2)15-19(3)28(20(25)4)21(5)33/h8-13,15-16H,6-7,14,17H2,1-5H3,(H,31,34)
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n/an/an/an/a 97n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091138
PNG
(CHEMBL3582168)
Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/s2
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n/an/an/an/a 102n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vincristine resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091138
PNG
(CHEMBL3582168)
Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/s2
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n/an/an/an/a 107n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091138
PNG
(CHEMBL3582168)
Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/s2
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n/an/an/an/a 108n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vinblastine resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50134999
PNG
(1-(5-(benzyloxy)-2-(2-hydroxy-3-(propylamino)propo...)
Show SMILES CCCNCC(O)COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C28H33NO4/c1-2-17-29-19-24(30)21-33-28-16-14-25(32-20-23-11-7-4-8-12-23)18-26(28)27(31)15-13-22-9-5-3-6-10-22/h3-12,14,16,18,24,29-30H,2,13,15,17,19-21H2,1H3
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n/an/an/an/a 110n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50390978
PNG
(VALSPODAR)
Show SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(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)C(=O)[C@@H](NC1=O)C(C)C)C(C)C
Show InChI InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Strasbourg 1 University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation (Calcein-AM: 0.25 uM) in MDR-P388 cells


Anticancer Drugs 7: 568-78 (1997)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50370900
PNG
(CHEMBL222220)
Show SMILES CC(=O)c1c(C)cc(C)c(CSc2nc3ccc(NC(=O)c4cccc5ccccc45)cc3s2)c1C
Show InChI InChI=1S/C30H26N2O2S2/c1-17-14-18(2)28(20(4)33)19(3)25(17)16-35-30-32-26-13-12-22(15-27(26)36-30)31-29(34)24-11-7-9-21-8-5-6-10-23(21)24/h5-15H,16H2,1-4H3,(H,31,34)
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n/an/an/an/a 110n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50135029
PNG
(1-(5-(benzyloxy)-2-(3-(4-benzylpiperazin-1-yl)-2-h...)
Show SMILES OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C36H40N2O4/c39-32(26-38-22-20-37(21-23-38)25-30-12-6-2-7-13-30)28-42-36-19-17-33(41-27-31-14-8-3-9-15-31)24-34(36)35(40)18-16-29-10-4-1-5-11-29/h1-15,17,19,24,32,39H,16,18,20-23,25-28H2
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n/an/an/an/a 116n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/an/an/a 120n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.


J Med Chem 41: 4001-11 (1998)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091271
PNG
(CHEMBL3582148)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3ccc(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C31H34O10/c1-33-20-15-23(35-3)21-17-28(40-29(32)11-9-18-8-10-22(34-2)25(12-18)36-4)30(41-24(21)16-20)19-13-26(37-5)31(39-7)27(14-19)38-6/h8-16,28,30H,17H2,1-7H3/b11-9+/t28-,30-/s2
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n/an/an/an/a 123n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vinblastine resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091265
PNG
(CHEMBL3582149)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C32H36O11/c1-34-20-15-22(35-2)21-17-28(42-29(33)10-9-18-11-24(36-3)31(40-7)25(12-18)37-4)30(43-23(21)16-20)19-13-26(38-5)32(41-8)27(14-19)39-6/h9-16,28,30H,17H2,1-8H3/b10-9+/t28-,30-/s2
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n/an/an/an/a 123n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing vincristine resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50209506
PNG
(CHEMBL266212 | N-(2-(4-(4-(3,4-dimethoxybenzyl)pip...)
Show SMILES COc1ccc(CN2CCN(CC2)c2ccc(NC(=O)c3ccccc3NC(=O)c3cnc4ccccc4c3)cc2)cc1OC
Show InChI InChI=1S/C36H35N5O4/c1-44-33-16-11-25(21-34(33)45-2)24-40-17-19-41(20-18-40)29-14-12-28(13-15-29)38-36(43)30-8-4-6-10-32(30)39-35(42)27-22-26-7-3-5-9-31(26)37-23-27/h3-16,21-23H,17-20,24H2,1-2H3,(H,38,43)(H,39,42)
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n/an/an/an/a 124n/an/an/an/a



Université Laval

Curated by ChEMBL


Assay Description
Reversal of P-gp-mediated multidrug resistance to vinblastine in human CEM/VLB500 cells after 3 days by resazurin assay


Bioorg Med Chem 15: 3854-68 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207922
PNG
(1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin...)
Show SMILES CC(=O)c1cc(Cl)c(Cl)cc1OCC(O)CN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C22H26Cl2N2O3/c1-15-5-3-4-6-21(15)26-9-7-25(8-10-26)13-17(28)14-29-22-12-20(24)19(23)11-18(22)16(2)27/h3-6,11-12,17,28H,7-10,13-14H2,1-2H3
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n/an/an/an/a 125n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091265
PNG
(CHEMBL3582149)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C32H36O11/c1-34-20-15-22(35-2)21-17-28(42-29(33)10-9-18-11-24(36-3)31(40-7)25(12-18)37-4)30(43-23(21)16-20)19-13-26(38-5)32(41-8)27(14-19)39-6/h9-16,28,30H,17H2,1-8H3/b10-9+/t28-,30-/s2
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n/an/an/an/a 127n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival a...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091265
PNG
(CHEMBL3582149)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C32H36O11/c1-34-20-15-22(35-2)21-17-28(42-29(33)10-9-18-11-24(36-3)31(40-7)25(12-18)37-4)30(43-23(21)16-20)19-13-26(38-5)32(41-8)27(14-19)39-6/h9-16,28,30H,17H2,1-8H3/b10-9+/t28-,30-/s2
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n/an/an/an/a 130n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207934
PNG
(1-(2-(3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy...)
Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2
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n/an/an/an/a 130n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207920
PNG
(1-(3-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-h...)
Show SMILES Cc1cccc(N2CCN(CC(O)COc3cccc(c3)C(=O)CCc3ccccc3)CC2)c1C
Show InChI InChI=1S/C30H36N2O3/c1-23-8-6-13-29(24(23)2)32-18-16-31(17-19-32)21-27(33)22-35-28-12-7-11-26(20-28)30(34)15-14-25-9-4-3-5-10-25/h3-13,20,27,33H,14-19,21-22H2,1-2H3
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n/an/an/an/a 137n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50207957
PNG
(3-phenyl-1-(2-(8-(piperidin-1-yl)octyloxy)phenyl)p...)
Show SMILES O=C(CCc1ccccc1)c1ccccc1OCCCCCCCCN1CCCCC1
Show InChI InChI=1S/C28H39NO2/c30-27(20-19-25-15-7-5-8-16-25)26-17-9-10-18-28(26)31-24-14-4-2-1-3-11-21-29-22-12-6-13-23-29/h5,7-10,15-18H,1-4,6,11-14,19-24H2
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n/an/an/an/a 137n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091264
PNG
(CHEMBL3582155)
Show SMILES COc1cc(OC)c2C[C@@H](OC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C36H36FNO11/c1-41-22-16-27(43-3)23-18-32(33(48-28(23)17-22)21-14-30(45-5)34(47-7)31(15-21)46-6)49-36(40)20-8-10-24(37)25(12-20)38-35(39)19-9-11-26(42-2)29(13-19)44-4/h8-17,32-33H,18H2,1-7H3,(H,38,39)/t32-,33-/s2
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n/an/an/an/a 139n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing doxorubicin resistance measured as cell survival ...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50091138
PNG
(CHEMBL3582168)
Show SMILES COc1cc(OC)c2C[C@H](OC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1/C37H38FNO12/c1-42-22-16-26(43-2)23-18-32(33(50-27(23)17-22)20-12-28(44-3)34(48-7)29(13-20)45-4)51-37(41)19-9-10-24(38)25(11-19)39-36(40)21-14-30(46-5)35(49-8)31(15-21)47-6/h9-17,32-33H,18H2,1-8H3,(H,39,40)/t32-,33+/s2
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n/an/an/an/a 140n/an/an/an/a



The Hong Kong Polytechnic University

Curated by ChEMBL


Assay Description
Modulation of P-gp (unknown origin) transfected in human MDA435/LCC6MDR cells assessed as reversing paclitaxel resistance measured as cell survival a...


J Med Chem 58: 4529-49 (2015)

More data for this
Ligand-Target Pair
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