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PubMed code 20627559

Compile data set for download or QSAR
Found 6 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
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50321556
PNG
(8-hydroxy-5,10-dimethoxy-2-propyl-4H-benzo[h]chrom...)
Show SMILES CCCc1cc(=O)c2c(OC)cc3cc(O)cc(OC)c3c2o1
Show InChI InChI=1S/C18H18O5/c1-4-5-12-9-13(20)17-14(21-2)7-10-6-11(19)8-15(22-3)16(10)18(17)23-12/h6-9,19H,4-5H2,1-3H3
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Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50221718
PNG
(CHEMBL400538 | comaparvin)
Show SMILES CCCc1cc(=O)c2c(O)cc3cc(O)cc(OC)c3c2o1
Show InChI InChI=1S/C17H16O5/c1-3-4-11-8-13(20)16-12(19)6-9-5-10(18)7-14(21-2)15(9)17(16)22-11/h5-8,18-19H,3-4H2,1-2H3
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PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50321557
PNG
(5,8-dihydroxy-6,10-dimethoxy-2-methyl-4H-benzo[h]c...)
Show SMILES COc1cc(O)cc2c(OC)c(O)c3c(oc(C)cc3=O)c12
Show InChI InChI=1S/C16H14O6/c1-7-4-10(18)13-14(19)15(21-3)9-5-8(17)6-11(20-2)12(9)16(13)22-7/h4-6,17,19H,1-3H3
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PubMed
n/an/a 1.19E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50242177
PNG
(5,8-dihydroxy-10-methoxy-2-methyl-4H-benzo[h]chrom...)
Show SMILES COc1cc(O)cc2cc(O)c3c(oc(C)cc3=O)c12
Show InChI InChI=1S/C15H12O5/c1-7-3-10(17)14-11(18)5-8-4-9(16)6-12(19-2)13(8)15(14)20-7/h3-6,16,18H,1-2H3
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PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50321555
PNG
(6-methoxycomaparvin 5-methyl ether | CHEMBL256967)
Show SMILES CCCc1cc(=O)c2c(OC)c(OC)c3cc(O)cc(OC)c3c2o1
Show InChI InChI=1S/C19H20O6/c1-5-6-11-9-13(21)16-18(25-11)15-12(17(23-3)19(16)24-4)7-10(20)8-14(15)22-2/h7-9,20H,5-6H2,1-4H3
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PubMed
n/an/a 1.66E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50321558
PNG
(6-methoxycomaparvin | CHEMBL401565)
Show SMILES CCCc1cc(=O)c2c(O)c(OC)c3cc(O)cc(OC)c3c2o1
Show InChI InChI=1S/C18H18O6/c1-4-5-10-8-12(20)15-16(21)17(23-3)11-6-9(19)7-13(22-2)14(11)18(15)24-10/h6-8,19,21H,4-5H2,1-3H3
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PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of ABCG2-mediated drug efflux expressed in human NCI-H460 cells


Bioorg Med Chem Lett 20: 3848-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.057
BindingDB Entry DOI: 10.7270/Q2X63NX5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%