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BDBM50439845 CHEMBL2420083

SMILES: COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1

InChI Key: InChIKey=QDZQDIUUJDAORK-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 = 50439845   
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50439845
PNG
(CHEMBL2420083)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C21H16O4/c1-23-18-10-8-14(11-20(18)24-2)19-12-17(22)16-9-7-13-5-3-4-6-15(13)21(16)25-19/h3-12H,1-2H3
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PC cid
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Article
PubMed
n/an/a 1.76E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in human 2008 cells assessed as calcein-AM accumulation preincubated for 30 mins before calcein-AM addi...


Eur J Med Chem 67: 115-26 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.035
BindingDB Entry DOI: 10.7270/Q2W66N6K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50439845
PNG
(CHEMBL2420083)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C21H16O4/c1-23-18-10-8-14(11-20(18)24-2)19-12-17(22)16-9-7-13-5-3-4-6-15(13)21(16)25-19/h3-12H,1-2H3
PDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.13E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition ...


Eur J Med Chem 67: 115-26 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.035
BindingDB Entry DOI: 10.7270/Q2W66N6K
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50439845
PNG
(CHEMBL2420083)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2ccc3ccccc3c2o1
Show InChI InChI=1S/C21H16O4/c1-23-18-10-8-14(11-20(18)24-2)19-12-17(22)16-9-7-13-5-3-4-6-15(13)21(16)25-19/h3-12H,1-2H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition me...


Eur J Med Chem 67: 115-26 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.035
BindingDB Entry DOI: 10.7270/Q2W66N6K
More data for this
Ligand-Target Pair