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Compile Data Set for Download or QSAR

Found 34 hits of ic50 data for polymerid = 50004830   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434964
PNG
(US10584098, Code ELQ-379)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)c2ccccc2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C31H21ClF3NO5/c1-18-28(19-7-9-22(10-8-19)39-23-11-13-24(14-12-23)41-31(33,34)35)29(40-30(38)20-5-3-2-4-6-20)25-16-26(32)21(17-37)15-27(25)36-18/h2-16,37H,17H2,1H3
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Oregon Health & Science University

US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434955
PNG
(US10584098, Code ELQ-337)
Show SMILES CCOC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C27H21ClF3NO6/c1-3-35-26(34)37-25-21-13-22(28)17(14-33)12-23(21)32-15(2)24(25)16-4-6-18(7-5-16)36-19-8-10-20(11-9-19)38-27(29,30)31/h4-13,33H,3,14H2,1-2H3
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Oregon Health & Science University

US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434960
PNG
(US10584098, Code ELQ-359)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC=C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H21ClF3NO6/c1-3-12-36-27(35)38-26-22-14-23(29)18(15-34)13-24(22)33-16(2)25(26)17-4-6-19(7-5-17)37-20-8-10-21(11-9-20)39-28(30,31)32/h3-11,13-14,34H,1,12,15H2,2H3
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US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434954
PNG
(US10584098, Code ELQ-336)
Show SMILES COC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H19ClF3NO6/c1-14-23(24(36-25(33)34-2)20-12-21(27)16(13-32)11-22(20)31-14)15-3-5-17(6-4-15)35-18-7-9-19(10-8-18)37-26(28,29)30/h3-12,32H,13H2,1-2H3
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US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434962
PNG
(US10584098, Code ELQ-374)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC2COC(C)(C)O2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C31H27ClF3NO8/c1-17-27(18-4-6-20(7-5-18)41-21-8-10-22(11-9-21)44-31(33,34)35)28(24-13-25(32)19(14-37)12-26(24)36-17)42-29(38)39-15-23-16-40-30(2,3)43-23/h4-13,23,37H,14-16H2,1-3H3
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US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434956
PNG
(US10584098, Code ELQ-354)
Show SMILES COCCOC(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H23ClF3NO7/c1-16-25(17-3-5-19(6-4-17)38-20-7-9-21(10-8-20)40-28(30,31)32)26(39-27(35)37-12-11-36-2)22-14-23(29)18(15-34)13-24(22)33-16/h3-10,13-14,34H,11-12,15H2,1-2H3
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Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434953
PNG
(US10584098, Code ELQ-300)
Show SMILES Cc1[nH]c2cc(CO)c(Cl)cc2c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H17ClF3NO4/c1-13-22(23(31)19-11-20(25)15(12-30)10-21(19)29-13)14-2-4-16(5-3-14)32-17-6-8-18(9-7-17)33-24(26,27)28/h2-11,30H,12H2,1H3,(H,29,31)
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Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434961
PNG
(US10584098, Code ELQ-373)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OCC2COC(=O)O2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H21ClF3NO9/c1-15-25(16-2-4-18(5-3-16)40-19-6-8-20(9-7-19)43-29(31,32)33)26(22-11-23(30)17(12-35)10-24(22)34-15)42-28(37)39-14-21-13-38-27(36)41-21/h2-11,21,35H,12-14H2,1H3
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Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434958
PNG
(US10584098, Code ELQ-357)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)C(C)(C)C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H25ClF3NO5/c1-16-25(17-5-7-19(8-6-17)37-20-9-11-21(12-10-20)39-29(31,32)33)26(38-27(36)28(2,3)4)22-14-23(30)18(15-35)13-24(22)34-16/h5-14,35H,15H2,1-4H3
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Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434957
PNG
(US10584098, Code ELQ-355)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OC2CCS(=O)(=O)C2)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H23ClF3NO8S/c1-16-26(17-2-4-19(5-3-17)39-20-6-8-21(9-7-20)42-29(31,32)33)27(23-13-24(30)18(14-35)12-25(23)34-16)41-28(36)40-22-10-11-43(37,38)15-22/h2-9,12-13,22,35H,10-11,14-15H2,1H3
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US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434959
PNG
(US10584098, Code ELQ-358)
Show SMILES Cc1nc2cc(CO)c(Cl)cc2c(OC(=O)OC(C)(C)C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C29H25ClF3NO6/c1-16-25(17-5-7-19(8-6-17)37-20-9-11-21(12-10-20)39-29(31,32)33)26(38-27(36)40-28(2,3)4)22-14-23(30)18(15-35)13-24(22)34-16/h5-14,35H,15H2,1-4H3
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Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM434963
PNG
(US10584098, Code ELQ-375)
Show SMILES CC(C)C(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C28H23ClF3NO5/c1-15(2)27(35)37-26-22-13-23(29)18(14-34)12-24(22)33-16(3)25(26)17-4-6-19(7-5-17)36-20-8-10-21(11-9-20)38-28(30,31)32/h4-13,15,34H,14H2,1-3H3
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Oregon Health & Science University

US Patent


Assay Description
In vitro experiments show that the intrinsic antiplasmodial activity of ethylcarbonate ester ELQ-337 is indistinguishable from ELQ-300, with IC50 val...

US Patent US10584098 (2020)


BindingDB Entry DOI: 10.7270/Q2R213TH
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50396334
PNG
(CHEMBL2170034)
Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C27H26Cl2N4/c28-22-7-5-21(6-8-22)27(32-25-11-12-31-26-17-23(29)9-10-24(25)26)20-3-1-19(2-4-20)18-33-15-13-30-14-16-33/h1-12,17,27,30H,13-16,18H2,(H,31,32)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...

J Med Chem 55: 6948-67 (2012)


Article DOI: 10.1021/jm300802s
BindingDB Entry DOI: 10.7270/Q2319X1X
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50396333
PNG
(CHEMBL2170036)
Show SMILES Clc1cccc(c1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCNCC2)cc1
Show InChI InChI=1S/C27H26Cl2N4/c28-22-3-1-2-21(16-22)27(32-25-10-11-31-26-17-23(29)8-9-24(25)26)20-6-4-19(5-7-20)18-33-14-12-30-13-15-33/h1-11,16-17,27,30H,12-15,18H2,(H,31,32)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...

J Med Chem 55: 6948-67 (2012)


Article DOI: 10.1021/jm300802s
BindingDB Entry DOI: 10.7270/Q2319X1X
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50563441
PNG
(CHEMBL4745810)
Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)n2nc(C)nc2n1
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n/an/a 1.25E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113227
BindingDB Entry DOI: 10.7270/Q2R49VH9
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...

J Med Chem 55: 6948-67 (2012)


Article DOI: 10.1021/jm300802s
BindingDB Entry DOI: 10.7270/Q2319X1X
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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University of Siena

Curated by ChEMBL


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

J Med Chem 55: 10387-404 (2012)


Article DOI: 10.1021/jm300831b
BindingDB Entry DOI: 10.7270/Q2N017PR
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50563442
PNG
(CHEMBL4754685)
Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(Cc3ccc(cc3)C(Nc3ccnc4cc(Cl)ccc34)c3cccc(Cl)c3)CC2)cc1
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n/an/a 1.56E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113227
BindingDB Entry DOI: 10.7270/Q2R49VH9
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
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/t27-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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

J Med Chem 55: 10387-404 (2012)


Article DOI: 10.1021/jm300831b
BindingDB Entry DOI: 10.7270/Q2N017PR
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
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/t27-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]chloroquine uptake...

J Med Chem 55: 6948-67 (2012)


Article DOI: 10.1021/jm300802s
BindingDB Entry DOI: 10.7270/Q2319X1X
More data for this
Ligand-Target Pair
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)		BDBM50353744
PNG
(CHEMBL1830986)
Show SMILES CN(Cc1ccccc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C25H24ClN3/c1-29(17-19-6-3-2-4-7-19)18-21-9-5-8-20(14-21)16-28-24-12-13-27-25-15-22(26)10-11-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...

J Med Chem 54: 6956-68 (2011)


Article DOI: 10.1021/jm2009698
BindingDB Entry DOI: 10.7270/Q2GB24FN
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)		BDBM50563440
PNG
(CHEMBL4784051)
Show SMILES COc1cc(NC(c2ccc(CN3CCCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
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n/an/a 5.50E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113227
BindingDB Entry DOI: 10.7270/Q2R49VH9
More data for this
Ligand-Target Pair
Chloroquine resistance transporter


(Plasmodium falciparum)		BDBM50353743
PNG
(CHEMBL1830985)
Show SMILES CN(Cc1ccccc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C25H24ClN3/c1-29(17-19-7-3-2-4-8-19)18-21-10-6-5-9-20(21)16-28-24-13-14-27-25-15-22(26)11-12-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...

J Med Chem 54: 6956-68 (2011)


Article DOI: 10.1021/jm2009698
BindingDB Entry DOI: 10.7270/Q2GB24FN
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)		BDBM50563439
PNG
(CHEMBL4748649)
Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
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TBA

Assay Description
Inhibition of Plasmodium falciparum Dd2 CRT expressed in Xenopus laevis oocyte assessed as inhibition of [3H]-CQ transport incubated for 1.5 hrs by m...

Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113227
BindingDB Entry DOI: 10.7270/Q2R49VH9
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)		BDBM50353745
PNG
(CHEMBL1830987)
Show SMILES CN(Cc1ccccc1)Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C25H24ClN3/c1-29(17-20-5-3-2-4-6-20)18-21-9-7-19(8-10-21)16-28-24-13-14-27-25-15-22(26)11-12-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of chloroquine-resistant Plasmodium falciparum Dd2 chloroquine resistance transporter expressed in xenopus laevis oocytes assessed as inhi...

J Med Chem 54: 6956-68 (2011)


Article DOI: 10.1021/jm2009698
BindingDB Entry DOI: 10.7270/Q2GB24FN
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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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)		BDBM50399930
PNG
(CHEMBL2181208)
Show SMILES Clc1ccc2c(Nc3ccc4CN(Cc5ccccc5)CNc4c3)ccnc2c1
Show InChI InChI=1S/C24H21ClN4/c25-19-7-9-21-22(10-11-26-24(21)12-19)28-20-8-6-18-15-29(16-27-23(18)13-20)14-17-4-2-1-3-5-17/h1-13,27H,14-16H2,(H,26,28)
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n/an/a 2.28E+5n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


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

J Med Chem 55: 10387-404 (2012)


Article DOI: 10.1021/jm300831b
BindingDB Entry DOI: 10.7270/Q2N017PR
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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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