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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-glycoprotein 1 and 3 (MDR1a/MDR1b)' and Ligand = 'BDBM50109793'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(Mus musculus)
BDBM50109793
PNG
(3-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-y...)
Show SMILES COc1cc2CCN(CCn3c(nc4ccc(cc4c3=O)[N+]([O-])=O)-c3ccc(cc3)N(C)C)Cc2cc1OC
Show InChI InChI=1S/C29H31N5O5/c1-31(2)22-7-5-19(6-8-22)28-30-25-10-9-23(34(36)37)17-24(25)29(35)33(28)14-13-32-12-11-20-15-26(38-3)27(39-4)16-21(20)18-32/h5-10,15-17H,11-14,18H2,1-4H3
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PC cid
PC sid
UniChem

Similars

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PubMed
n/an/a 600n/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