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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50109810'   
Target/Host
(Institution)
LigandTarget/Host
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
ATP-dependent translocase ABCB1


(Mus musculus)
BDBM50109810
PNG
(2-(4-Diethylamino-phenyl)-3-[2-(6,7-dimethoxy-3,4-...)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2ccccc2c(=O)n1CCN1CCc2cc(OC)c(OC)cc2C1
Show InChI InChI=1S/C31H36N4O3/c1-5-34(6-2)25-13-11-22(12-14-25)30-32-27-10-8-7-9-26(27)31(36)35(30)18-17-33-16-15-23-19-28(37-3)29(38-4)20-24(23)21-33/h7-14,19-20H,5-6,15-18,21H2,1-4H3
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PC cid
PC sid
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Similars

PubMed
n/an/a 1.30E+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)


BindingDB Entry DOI: 10.7270/Q2PV6JP9
More data for this
Ligand-Target Pair