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BDBM50109750 2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(E)-ylidene]-9H-fluoren-4-yl}-ethanol::CHEMBL422330::LUMEFANTRINE

SMILES: CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C\c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12

InChI Key: InChIKey=DYLGFOYVTXJFJP-MFKUBSTISA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50109750   
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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50109750
PNG
(2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phen...)
Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C\c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
Show InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15+
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against IKr potassium channel


Bioorg Med Chem Lett 14: 4771-7 (2004)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50109750
PNG
(2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phen...)
Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C\c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
Show InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.13E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)

More data for this
Ligand-Target Pair