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PubMed code 18089721

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
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))
BDBM32630
PNG
(NSC19139)
Show SMILES Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)
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n/an/a 2.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32637
PNG
(NSC375985)
Show SMILES Cc1cc(=O)[nH]c2cc3oc4ccccc4c3cc12
Show InChI InChI=1S/C16H11NO2/c1-9-6-16(18)17-13-8-15-12(7-11(9)13)10-4-2-3-5-14(10)19-15/h2-8H,1H3,(H,17,18)
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n/an/a 3.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32633
PNG
(NSC168201)
Show SMILES COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC
Show InChI InChI=1S/C22H22NO4/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23/h6-12H,1-5H3/q+1
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n/an/a 3.90E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32632
PNG
(NSC120688)
Show SMILES OC(=O)c1ccc(\C=N\N=C2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+
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n/an/a 4.30E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32629
PNG
(NSC11668 | cid_223753)
Show SMILES Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)
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n/an/a 4.50E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32636
PNG
(NSC320852)
Show SMILES NN=C1C(OC(=O)Nc2cccc(Cl)c2)=Nc2ccccc12
Show InChI InChI=1S/C15H11ClN4O2/c16-9-4-3-5-10(8-9)18-15(21)22-14-13(20-17)11-6-1-2-7-12(11)19-14/h1-8H,17H2,(H,18,21)
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n/an/a 4.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32635
PNG
(NSC306698)
Show SMILES Cc1ccc(NC(=[OH+])c2cc3ccccc3cc2O)c(C)c1
Show InChI InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)/p+1
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n/an/a 5.40E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32634
PNG
(NSC303769)
Show SMILES Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc2ccccc2c1
Show InChI InChI=1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,24H,1H3
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n/an/a 5.80E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32631
PNG
(Digitonin | NSC23471)
Show SMILES CC1C2C(OC11CCC(C)CO1)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C
Show InChI InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3
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n/an/a 9.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32638
PNG
(Dihydroergocristine | NSC409663)
Show SMILES CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)
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n/an/a 1.18E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%