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BDBM50420185 CHEMBL1233636

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

InChI Key: InChIKey=BXFFHSIDQOFMLE-UHFFFAOYSA-N

Data: 6 KI  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50420185   
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)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT3-S2 cells


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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1.81E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of estrone sulfate in OAT4-S2 cells


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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2.30E+4n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: uptake&inhibition of PAH in OAT1-S2 cells


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Serum albumin


(Bos taurus)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
PDB

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n/an/an/a 3.00E+4n/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity to BSA assessed as binding constant at 1H-2 resonance by (1)H relaxation dispersion NMR spectroscopy


J Med Chem 59: 10788-10793 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01110
BindingDB Entry DOI: 10.7270/Q28W3G8K
More data for this
Ligand-Target Pair
Solute carrier family 22 member 11


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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Article
PubMed
1.81E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT4


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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UniChem

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Article
PubMed
2.27E+4n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of PAH uptake (PAH: 5 uM, indoxyl sulfate:500 uM) in S2 human-OAT1 expressing cells


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
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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
Solute carrier family 22 member 8


(Homo sapiens)
BDBM50420185
PNG
(CHEMBL1233636)
Show SMILES OS(=O)(=O)Oc1c[nH]c2ccccc12
Show InChI InChI=1S/C8H7NO4S/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8/h1-5,9H,(H,10,11,12)
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
DrugBank
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PC sid
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UniChem

Similars

Article
PubMed
1.69E+5n/an/an/an/an/an/an/an/a



Nagoya University School of Medicine

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E1S uptake (E1S: 5 uM, indoxyl sulfate:500 uM) in S2 cells expressing human-OAT3


Eur J Pharmacol 466: 13-20 (2003)


Article DOI: 10.1016/s0014-2999(03)01530-9
BindingDB Entry DOI: 10.7270/Q23R0V48
More data for this
Ligand-Target Pair