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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50013183   
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)
BDBM50563441
PNG
(CHEMBL4745810)
Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)n2nc(C)nc2n1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50563442
PNG
(CHEMBL4754685)
Show SMILES Clc1ccc(cc1)C(Nc1ccnc2cc(Cl)ccc12)c1ccc(CN2CCN(Cc3ccc(cc3)C(Nc3ccnc4cc(Cl)ccc34)c3cccc(Cl)c3)CC2)cc1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50563440
PNG
(CHEMBL4784051)
Show SMILES COc1cc(NC(c2ccc(CN3CCCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
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)
BDBM50563439
PNG
(CHEMBL4748649)
Show SMILES COc1cc(NC(c2ccc(CN3CCNCC3)cc2)c2cccc(Cl)c2)c2ncccc2c1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.40E+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