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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'deane' and Initial = 'kj'   
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
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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n/an/a 5.40E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020157
PNG
(CHEMBL3288457)
Show SMILES CN(C)CCC(c1cccc(Cl)c1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)11-9-15(16-8-3-4-10-18-16)13-6-5-7-14(17)12-13/h3-8,10,12,15H,9,11H2,1-2H3
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n/an/a 6.30E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020159
PNG
(CHEMBL3286418)
Show SMILES CN(C)CCCC(c1cccc(Cl)c1)c1ccccn1
Show InChI InChI=1S/C17H21ClN2/c1-20(2)12-6-9-16(17-10-3-4-11-19-17)14-7-5-8-15(18)13-14/h3-5,7-8,10-11,13,16H,6,9,12H2,1-2H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM71542
PNG
((4-amino-1-methyl-butyl)-(6-methoxy-8-quinolyl)ami...)
Show SMILES COc1cc(NC(C)CCCN)c2ncccc2c1
Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
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n/an/a 6.80E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50017696
PNG
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)
Show SMILES CC(CN1c2ccccc2Sc2ccccc12)N(C)C
Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020160
PNG
(CHEMBL3288467)
Show SMILES CN(C)CCCCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C18H23ClN2/c1-21(2)14-6-4-7-17(18-8-3-5-13-20-18)15-9-11-16(19)12-10-15/h3,5,8-13,17H,4,6-7,14H2,1-2H3
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PC sid
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n/an/a 1.80E+5n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)
BDBM50020154
PNG
(CHEMBL3288452)
Show SMILES CCN(CC)C\C=C(/c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C18H21ClN2/c1-3-21(4-2)14-12-17(18-7-5-6-13-20-18)15-8-10-16(19)11-9-15/h5-13H,3-4,14H2,1-2H3/b17-12+
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PubMed
n/an/a 3.21E+5n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocytes plasma membrane assessed as reduction of [3H]-c...


ACS Med Chem Lett 5: 576-81 (2014)


Article DOI: 10.1021/ml5000228
BindingDB Entry DOI: 10.7270/Q22V2HPS
More data for this
Ligand-Target Pair