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Patent code US10584098

Compile Data Set for Download or QSAR
Found 12 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
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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 2.70n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



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)		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)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 3.10n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 3.5n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 3.90n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 6n/an/an/an/an/an/a



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)		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
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
UniChem
US Patent
n/an/a 8.20n/an/an/an/an/an/a



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
* indicates data uncertainty>20%