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BDBM50261064 CHEMBL4100146

SMILES: [#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1

InChI Key: InChIKey=JMWQDIKJRCJGMY-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50261064   
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
Solute carrier family 22 member 2


(Homo sapiens (Human))
BDBM50261064
PNG
(CHEMBL4100146)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1
Show InChI InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT2 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...


Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(Homo sapiens (Human))
BDBM50261064
PNG
(CHEMBL4100146)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1
Show InChI InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of substrate [3H]MPP+ after 1 min by liquid scintillation counting ...


Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair
Solute carrier family 22 member 3


(Homo sapiens (Human))
BDBM50261064
PNG
(CHEMBL4100146)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(I)cc1
Show InChI InChI=1S/C7H8IN3/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H,(H4,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Department of Pharmaceutics, School of Pharmacy, Virginia Commonwealth University, Richmond, VA 23298, USA.

Curated by ChEMBL


Assay Description
Inhibition of OCT3 (unknown origin)


Bioorg Med Chem Lett 27: 4440-4445 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.008
BindingDB Entry DOI: 10.7270/Q24M970C
More data for this
Ligand-Target Pair