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15 similar compounds to monomer 50030673

Wt: 506.5
BDBM50030659
Wt: 536.5
BDBM50030661
Wt: 536.5
BDBM50030672
Wt: 596.6
BDBM50030675
Wt: 506.5
BDBM50030677
Wt: 462.5
BDBM50030678
Wt: 492.5
BDBM50030679
Wt: 476.5
BDBM50030735
Wt: 490.5
BDBM50030736
Wt: 564.6
BDBM50030737
Wt: 688.7
BDBM50030740
Wt: 566.6
BDBM50030671
Wt: 522.5
BDBM50030734
Wt: 506.5
BDBM50030738
Wt: 594.6
BDBM50030739

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50030659,50030661,50030672,50030675,50030677,50030678,50030679,50030735,50030736,50030737,50030740,50030671,50030734,50030738,50030739   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50030659
PNG
(CHEMBL3342116)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3
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n/an/an/an/a 5.20E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030734
PNG
(CHEMBL3342110)
Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3
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n/an/an/an/a 4.14E+4n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030671
PNG
(CHEMBL3342118)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H30N2O8S/c1-8-39-29(33)21-14(2)31-28-23(22(21)15-11-19(36-5)26(38-7)20(12-15)37-6)24(30)27(40-28)25(32)17-10-9-16(34-3)13-18(17)35-4/h9-13H,8,30H2,1-7H3
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n/an/an/an/a 1.24E+4n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030672
PNG
(CHEMBL3342123)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H28N2O7S/c1-15-20(28(32)37-12-11-33-2)21(17-13-18(34-3)25(36-5)19(14-17)35-4)22-23(29)26(38-27(22)30-15)24(31)16-9-7-6-8-10-16/h6-10,13-14H,11-12,29H2,1-5H3
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n/an/an/an/a 3.90E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030675
PNG
(CHEMBL3342125)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H32N2O9S/c1-15-22(30(34)41-11-10-35-2)23(16-12-20(38-5)27(40-7)21(13-16)39-6)24-25(31)28(42-29(24)32-15)26(33)18-9-8-17(36-3)14-19(18)37-4/h8-9,12-14H,10-11,31H2,1-7H3
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n/an/an/an/a 7.00E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030677
PNG
(CHEMBL3344541)
Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N
Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030678
PNG
(CHEMBL3344542)
Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C25H22N2O5S/c1-13-18(25(29)32-4)19(14-5-9-16(30-2)10-6-14)20-21(26)23(33-24(20)27-13)22(28)15-7-11-17(31-3)12-8-15/h5-12H,26H2,1-4H3
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n/an/an/an/a 700n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030679
PNG
(CHEMBL3344543)
Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3
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n/an/an/an/a 3.60E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030734
PNG
(CHEMBL3342110)
Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O7S/c1-13-20(27(31)36-6)21(14-7-10-17(33-3)19(11-14)35-5)22-23(28)25(37-26(22)29-13)24(30)16-9-8-15(32-2)12-18(16)34-4/h7-12H,28H2,1-6H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030735
PNG
(CHEMBL3342113)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H24N2O5S/c1-5-33-26(30)19-14(2)28-25-21(20(19)15-6-10-17(31-3)11-7-15)22(27)24(34-25)23(29)16-8-12-18(32-4)13-9-16/h6-13H,5,27H2,1-4H3
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n/an/an/an/a 400n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030659
PNG
(CHEMBL3342116)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C27H26N2O6S/c1-6-35-27(31)19-14(2)29-26-21(22(28)25(36-26)23(30)15-10-8-7-9-11-15)20(19)16-12-17(32-3)24(34-5)18(13-16)33-4/h7-13H,6,28H2,1-5H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030661
PNG
(CHEMBL3342117)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H28N2O7S/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3
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n/an/an/an/a 700n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030671
PNG
(CHEMBL3342118)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C29H30N2O8S/c1-8-39-29(33)21-14(2)31-28-23(22(21)15-11-19(36-5)26(38-7)20(12-15)37-6)24(30)27(40-28)25(32)17-10-9-16(34-3)13-18(17)35-4/h9-13H,8,30H2,1-7H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030736
PNG
(CHEMBL3342119)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OCC)cc1
Show InChI InChI=1S/C27H26N2O5S/c1-5-33-19-13-7-16(8-14-19)21-20(27(31)34-6-2)15(3)29-26-22(21)23(28)25(35-26)24(30)17-9-11-18(32-4)12-10-17/h7-14H,5-6,28H2,1-4H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030737
PNG
(CHEMBL3342121)
Show SMILES CCCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H32N2O7S/c1-7-8-13-39-30(34)22-16(2)32-29-24(23(22)18-14-20(36-4)27(38-6)21(15-18)37-5)25(31)28(40-29)26(33)17-9-11-19(35-3)12-10-17/h9-12,14-15H,7-8,13,31H2,1-6H3
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n/an/an/an/a 400n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030738
PNG
(CHEMBL3342122)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C27H26N2O6S/c1-15-20(27(31)35-14-13-32-2)21(16-5-9-18(33-3)10-6-16)22-23(28)25(36-26(22)29-15)24(30)17-7-11-19(34-4)12-8-17/h5-12H,13-14,28H2,1-4H3
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n/an/an/an/a 800n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030672
PNG
(CHEMBL3342123)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccccc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H28N2O7S/c1-15-20(28(32)37-12-11-33-2)21(17-13-18(34-3)25(36-5)19(14-17)35-4)22-23(29)26(38-27(22)30-15)24(31)16-9-7-6-8-10-16/h6-10,13-14H,11-12,29H2,1-5H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030675
PNG
(CHEMBL3342125)
Show SMILES COCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3OC)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C30H32N2O9S/c1-15-22(30(34)41-11-10-35-2)23(16-12-20(38-5)27(40-7)21(13-16)39-6)24-25(31)28(42-29(24)32-15)26(33)18-9-8-17(36-3)14-19(18)37-4/h8-9,12-14H,10-11,31H2,1-7H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030739
PNG
(CHEMBL3342127)
Show SMILES CCCOCCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H34N2O8S/c1-7-12-40-13-14-41-31(35)23-17(2)33-30-25(24(23)19-15-21(37-4)28(39-6)22(16-19)38-5)26(32)29(42-30)27(34)18-8-10-20(36-3)11-9-18/h8-11,15-16H,7,12-14,32H2,1-6H3
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n/an/an/an/a 600n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50030740
PNG
(CHEMBL3342128)
Show SMILES CCOC(=O)c1c(nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C36H36N2O10S/c1-9-48-36(40)28-26(19-14-22(42-3)32(46-7)23(15-19)43-4)27-29(37)34(31(39)18-10-12-21(41-2)13-11-18)49-35(27)38-30(28)20-16-24(44-5)33(47-8)25(17-20)45-6/h10-17H,9,37H2,1-8H3
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n/an/an/an/a 3.00E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of BCRP1 mediated drug efflux in mitoxantrone-resistant human MES-SA cells assessed as accumulation of hoechst 33342 incubated for 15 mins...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030677
PNG
(CHEMBL3344541)
Show SMILES COc1ccc(cc1)C(=O)c1sc2nc(C)c(C(C)=O)c(-c3cc(OC)c(OC)c(OC)c3)c2c1N
Show InChI InChI=1S/C27H26N2O6S/c1-13-20(14(2)30)21(16-11-18(33-4)25(35-6)19(12-16)34-5)22-23(28)26(36-27(22)29-13)24(31)15-7-9-17(32-3)10-8-15/h7-12H,28H2,1-6H3
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n/an/an/an/a 6.60E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030679
PNG
(CHEMBL3344543)
Show SMILES COC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C26H24N2O6S/c1-13-19(26(30)34-5)20(15-8-11-17(32-3)18(12-15)33-4)21-22(27)24(35-25(21)28-13)23(29)14-6-9-16(31-2)10-7-14/h6-12H,27H2,1-5H3
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n/an/an/an/a 1.19E+4n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

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


(Homo sapiens (Human))
BDBM50030661
PNG
(CHEMBL3342117)
Show SMILES CCOC(=O)c1c(C)nc2sc(C(=O)c3ccc(OC)cc3)c(N)c2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C28H28N2O7S/c1-7-37-28(32)20-14(2)30-27-22(21(20)16-12-18(34-4)25(36-6)19(13-16)35-5)23(29)26(38-27)24(31)15-8-10-17(33-3)11-9-15/h8-13H,7,29H2,1-6H3
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n/an/an/an/a 5.20E+3n/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Modulation of MRP1 mediated drug efflux in doxorubicin-resistant human H69 cells assessed as accumulation of calcein AM incubated for 15 mins prior t...


Bioorg Med Chem 22: 5860-70 (2014)

More data for this
Ligand-Target Pair