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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'ahmed-belkacem' and Initial = 'a'   
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371107
PNG
(CHEMBL397235)
Show SMILES COc1ccc(CCNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)cc1
Show InChI InChI=1S/C23H20N2O3/c1-28-16-11-9-15(10-12-16)13-14-24-23(27)19-7-4-6-18-21(19)25-20-8-3-2-5-17(20)22(18)26/h2-12H,13-14H2,1H3,(H,24,27)(H,25,26)
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n/an/a 350n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50206310
PNG
(5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC
Show InChI InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)
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n/an/a 410n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371104
PNG
(CHEMBL243167)
Show SMILES COc1ccc(CCNC(=O)c2cccc3c2[nH]c2ccccc2c3=O)cc1OC
Show InChI InChI=1S/C24H22N2O4/c1-29-20-11-10-15(14-21(20)30-2)12-13-25-24(28)18-8-5-7-17-22(18)26-19-9-4-3-6-16(19)23(17)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 450n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371110
PNG
(CHEMBL243168)
Show SMILES COc1ccc(CCNC(=O)c2cccc3c2[nH]c2cc(OC)ccc2c3=O)cc1
Show InChI InChI=1S/C24H22N2O4/c1-29-16-8-6-15(7-9-16)12-13-25-24(28)20-5-3-4-19-22(20)26-21-14-17(30-2)10-11-18(21)23(19)27/h3-11,14H,12-13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 560n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50370874
PNG
(CHEMBL221371)
Show SMILES COC1Oc2c(O)cccc2-c2c1oc1cc(OC)cc(O)c1c2=O
Show InChI InChI=1S/C18H14O7/c1-22-8-6-11(20)14-12(7-8)24-17-13(15(14)21)9-4-3-5-10(19)16(9)25-18(17)23-2/h3-7,18-20H,1-2H3
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n/an/a 700n/an/an/an/an/an/a



UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in human HEK293 cells assessed as maximal mitoxantrone accumulation


J Med Chem 50: 1933-8 (2007)


Article DOI: 10.1021/jm061450q
BindingDB Entry DOI: 10.7270/Q21V5FRP
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371108
PNG
(CHEMBL242513)
Show SMILES COc1cc(cc2[nH]c3ccccc3c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C15H10F3NO2/c1-21-12-7-8(15(16,17)18)6-11-13(12)14(20)9-4-2-3-5-10(9)19-11/h2-7H,1H3,(H,19,20)
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n/an/a 770n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371114
PNG
(CHEMBL243169)
Show SMILES COc1ccc2c(c1)[nH]c1c(cccc1c2=O)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H24N2O5/c1-30-16-8-9-17-20(14-16)27-23-18(24(17)28)5-4-6-19(23)25(29)26-12-11-15-7-10-21(31-2)22(13-15)32-3/h4-10,13-14H,11-12H2,1-3H3,(H,26,29)(H,27,28)
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n/an/a 1.38E+3n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50370873
PNG
(CHEMBL222265)
Show SMILES COC1Oc2c(O)cccc2-c2c1oc1cc(OC)c(C)c(O)c1c2=O
Show InChI InChI=1S/C19H16O7/c1-8-11(23-2)7-12-14(15(8)21)16(22)13-9-5-4-6-10(20)17(9)26-19(24-3)18(13)25-12/h4-7,19-21H,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in human HEK293 cells assessed as maximal mitoxantrone accumulation


J Med Chem 50: 1933-8 (2007)


Article DOI: 10.1021/jm061450q
BindingDB Entry DOI: 10.7270/Q21V5FRP
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371109
PNG
(CHEMBL388886 | GNF-PF-2549)
Show SMILES COc1ccc2[nH]c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C14H11NO2/c1-17-9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)15-13/h2-8H,1H3,(H,15,16)
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n/an/a 4.80E+3n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371106
PNG
(CHEMBL243813)
Show SMILES COc1cccc2[nH]c3ccccc3c(=O)c12
Show InChI InChI=1S/C14H11NO2/c1-17-12-8-4-7-11-13(12)14(16)9-5-2-3-6-10(9)15-11/h2-8H,1H3,(H,15,16)
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n/an/a 6.30E+3n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371105
PNG
(CHEMBL243814)
Show SMILES COc1cc(OC)c2c(c1)[nH]c1ccccc1c2=O
Show InChI InChI=1S/C15H13NO3/c1-18-9-7-12-14(13(8-9)19-2)15(17)10-5-3-4-6-11(10)16-12/h3-8H,1-2H3,(H,16,17)
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n/an/a 7.90E+3n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371111
PNG
(CHEMBL397685)
Show SMILES Oc1cccc2[nH]c3ccccc3c(=O)c12
Show InChI InChI=1S/C13H9NO2/c15-11-7-3-6-10-12(11)13(16)8-4-1-2-5-9(8)14-10/h1-7,15H,(H,14,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371112
PNG
(CHEMBL242943)
Show SMILES Oc1cc(cc2[nH]c3ccccc3c(=O)c12)C(F)(F)F
Show InChI InChI=1S/C14H8F3NO2/c15-14(16,17)7-5-10-12(11(19)6-7)13(20)8-3-1-2-4-9(8)18-10/h1-6,19H,(H,18,20)
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n/an/a>2.00E+4n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM60916
PNG
(2-hydroxy-10H-acridin-9-one | 2-oxidanyl-10H-acrid...)
Show SMILES Oc1ccc2[nH]c3ccccc3c(=O)c2c1
Show InChI InChI=1S/C13H9NO2/c15-8-5-6-12-10(7-8)13(16)9-3-1-2-4-11(9)14-12/h1-7,15H,(H,14,16)
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n/an/a>2.00E+4n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371113
PNG
(CHEMBL242512)
Show SMILES COc1ccc2[nH]c3ccccc3c(=O)c2c1OC
Show InChI InChI=1S/C15H13NO3/c1-18-12-8-7-11-13(15(12)19-2)14(17)9-5-3-4-6-10(9)16-11/h3-8H,1-2H3,(H,16,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50371103
PNG
(CHEMBL242942)
Show SMILES COc1cc(O)c2c(c1)[nH]c1ccccc1c2=O
Show InChI InChI=1S/C14H11NO3/c1-18-8-6-11-13(12(16)7-8)14(17)9-4-2-3-5-10(9)15-11/h2-7,16H,1H3,(H,15,17)
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n/an/a>2.00E+4n/an/an/an/an/an/a



UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 expressed in HEK293 cells assessed as mitoxantrone-mediated efflux by flow cytometry


Bioorg Med Chem 15: 2892-7 (2007)


Article DOI: 10.1016/j.bmc.2007.02.017
BindingDB Entry DOI: 10.7270/Q2N58N6T
More data for this
Ligand-Target Pair