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BDBM50109787 2-Biphenyl-4-yl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-ethyl]-3H-quinazolin-4-one::CHEMBL154003

InChI string: InChI=1S/C33H31N3O3/c1-38-30-20-26-16-17-35(22-27(26)21-31(30)39-2)18-19-36-32(34-29-11-7-6-10-28(29)33(36)37)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,20-21H,16-19,22H2,1-2H3

SMILES: COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC

InChI Key: InChIKey=ZZCIOKLFQNGQEK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50109787   
Target
(Institution)
LigandTarget
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-associated protein 1


(Homo sapiens (Human))
BDBM50109787
PNG
(2-Biphenyl-4-yl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C33H31N3O3/c1-38-30-20-26-16-17-35(22-27(26)21-31(30)39-2)18-19-36-32(34-29-11-7-6-10-28(29)33(36)37)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,20-21H,16-19,22H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibition of multidrug resistance associated protein type 1 (MRP1) assayed by an accumulation assay in COR.L23/R cells


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(Mus musculus)
BDBM50109787
PNG
(2-Biphenyl-4-yl-3-[2-(6,7-dimethoxy-3,4-dihydro-1H...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccccc4c3=O)-c3ccc(cc3)-c3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C33H31N3O3/c1-38-30-20-26-16-17-35(22-27(26)21-31(30)39-2)18-19-36-32(34-29-11-7-6-10-28(29)33(36)37)25-14-12-24(13-15-25)23-8-4-3-5-9-23/h3-15,20-21H,16-19,22H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glyco-protein (Pgp) using accumulation assay for Pgp expressing EMT6/AR1.0 cells.


Bioorg Med Chem Lett 12: 571-4 (2002)

More data for this
Ligand-Target Pair