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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'lusvarghi' and Initial = 's'   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50603613
PNG
(CHEMBL5169644)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r|
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210n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50603613
PNG
(CHEMBL5169644)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r|
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483n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50603612
PNG
(CHEMBL5171777)
Show SMILES COc1cc(CCNC2=NC(=NC3=NC=NC23)C#Cc2ccc(Cl)s2)ccc1O |c:10,14,t:8,12|
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6.82E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Mus musculus)
BDBM50603613
PNG
(CHEMBL5169644)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r|
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 6.20n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 7.10n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 7.80n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 19n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on mitoxantrone-induced cytotoxicity by measuring mitox...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 42n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 44n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 51n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 70n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 75n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 86n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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n/an/a 88n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 90n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCG2-mediated multidrug resistance in HEK293/R482 cells assessed as effect on topotecan-induced cytotoxicity by measuring topoteca...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 130n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 144n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 148n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 310n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 367n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on topotecan-induced cytotoxicity by mea...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 410n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603613
PNG
(CHEMBL5169644)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCc3ccccc3)nc(nc12)C#Cc1ccccc1)C(=O)OCC |r|
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n/an/a 440n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 442n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human H460-MX20 cells assessed as effect on mitoxantrone-induced cytotoxicity by ...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50545548
PNG
(CHEMBL4633247)
Show SMILES [H][C@@]12Cc3c([nH]c4cc(OC)ccc34)[C@H](CC(C)C)N1C(=O)[C@H](CCOC(=O)C(C)(C)C)NC2=O |r|
Show InChI InChI=1S/C26H35N3O5/c1-14(2)11-20-22-17(16-8-7-15(33-6)12-19(16)27-22)13-21-23(30)28-18(24(31)29(20)21)9-10-34-25(32)26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,30)/t18-,20-,21-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603614
PNG
(CHEMBL5196742)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1ccc2c(NCCCc3ccc(OC)c(O)c3)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCC |r|
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n/an/a 600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 610n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 1.03E+3n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on topotecan-induced cytotoxicity by meas...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 1.53E+3n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603616
PNG
(CHEMBL5185009)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(c3)-n3cc(nn3)-c3ccc(F)c(F)c3)nc(nc12)C#Cc1ccc(F)c(F)c1)C(=O)NC |r|
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n/an/a 2.57E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603615
PNG
(CHEMBL5177814)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(c3)-n3cc(nn3)-c3ccc(F)c(F)c3)nc(nc12)C#Cc1ccc(F)cc1)C(=O)NC |r|
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n/an/a 2.59E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 2.63E+3n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603617
PNG
(CHEMBL5208602)
Show SMILES [H][C@]12C[C@@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCc3cccc(c3)-n3cc(nn3)-c3ccc(F)c(F)c3)nc(nc12)C#Cc1cc(F)c(F)c(F)c1)C(=O)NC |r|
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n/an/a 4.01E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50603612
PNG
(CHEMBL5171777)
Show SMILES COc1cc(CCNC2=NC(=NC3=NC=NC23)C#Cc2ccc(Cl)s2)ccc1O |c:10,14,t:8,12|
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n/an/a 4.98E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114103
BindingDB Entry DOI: 10.7270/Q2PV6QGP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 6.80E+3n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(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/a 7.83E+3n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 1 uM by measurin...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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n/an/a 1.19E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 3.95E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of ABCG2 (unknown origin)-mediated multidrug resistance in human S1-M1-80 cells assessed as effect on mitoxantrone-induced cytotoxicity by m...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 4.93E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 5.36E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 5.65E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 6.67E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCC1-mediated multidrug resistance in HEK293/MRP1 cells assessed as effect on etoposide-induced cytotoxicity by measuring etoposid...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 9.49E+4n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 0.5 uM by measur...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 1.05E+5n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 3 uM by measurin...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 1.15E+5n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 1 uM by measurin...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50068270
PNG
((E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-y...)
Show SMILES COc1cc(O)c(cc1\C=C\C(=O)c1ccc(O)cc1)C(C)(C)C=C
Show InChI InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+
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n/an/a 1.21E+5n/an/an/an/an/an/a



Taipei Chang Gung Memorial Hospital

Curated by ChEMBL


Assay Description
Reversal of human ABCB1-mediated multidrug resistance in HEK293/MDR19 cells assessed as effect on colchicine-induced cytotoxicity at 2 uM by measurin...


J Nat Prod 83: 1461-1472 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01022
BindingDB Entry DOI: 10.7270/Q27D2ZQP
More data for this
Ligand-Target Pair
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