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BDBM50420240 CHEMBL2074590

SMILES: CC(=O)Oc1c[nH]c2ccccc12

InChI Key: InChIKey=JBOPQACSHPPKEP-UHFFFAOYSA-N

Data: 2 KI  1 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 = 50420240   
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 8


(Homo sapiens (Human))
BDBM50420240
PNG
(CHEMBL2074590)
Show SMILES CC(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.91E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of benzylpenicillin uptake in OAT3-expressing HEK293 cells


Kidney Int 65: 162-74 (2004)


Article DOI: 10.1111/j.1523-1755.2004.00354.x
BindingDB Entry DOI: 10.7270/Q29026N5
More data for this
Ligand-Target Pair
Solute carrier family 22 member 8


(Rattus norvegicus)
BDBM50420240
PNG
(CHEMBL2074590)
Show SMILES CC(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.82E+5n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of benzylpenicillin uptake in Oat3-expressing HEK293 cells


Kidney Int 65: 162-74 (2004)


Article DOI: 10.1111/j.1523-1755.2004.00354.x
BindingDB Entry DOI: 10.7270/Q29026N5
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50420240
PNG
(CHEMBL2074590)
Show SMILES CC(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.30E+4n/an/an/an/an/an/a



Tokyo Women's Medical University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake in OAT-expressing OK cells


Br J Pharmacol 135: 555-63 (2002)


Article DOI: 10.1038/sj.bjp.0704482
BindingDB Entry DOI: 10.7270/Q21J9C29
More data for this
Ligand-Target Pair