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SMILES: CC(C)C(=O)Oc1c(c(C)nc2cc(CO)c(Cl)cc12)-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1

InChI Key: InChIKey=CGZMROFGNYXKAY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 434963   
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)		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

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PC cid
PC sid
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