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BDBM50088388 BENOXAPROFEN::Benoxaprofen::CHEBI:76114::Compound 90459::Oraflex

SMILES: CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1

InChI Key: InChIKey=MITFXPHMIHQXPI-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50088388   
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
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50088388
PNG
(BENOXAPROFEN | Benoxaprofen | CHEBI:76114 | Compou...)
Show SMILES CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
UniProtKB/SwissProt

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DrugBank
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.75E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50088388
PNG
(BENOXAPROFEN | Benoxaprofen | CHEBI:76114 | Compou...)
Show SMILES CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50088388
PNG
(BENOXAPROFEN | Benoxaprofen | CHEBI:76114 | Compou...)
Show SMILES CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.91E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)


Article DOI: 10.1124/dmd.111.040758
BindingDB Entry DOI: 10.7270/Q20Z7500
More data for this
Ligand-Target Pair