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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 5' and Ligand = 'BDBM50017103'   
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
Multidrug resistance-associated protein 5


(Homo sapiens (Human))
BDBM50017103
PNG
(9,10-Dimethoxy-3-methyl-2-(2,4,6-trimethyl-phenyli...)
Show SMILES COc1cc2CCn3c(c\c(=N/c4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+
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PC sid
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Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



The Netherlands Cancer Institute

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (PMEA: 1 uM) in MRP5-expressing HEK293 cells


Mol Pharmacol 63: 1094-103 (2003)


Article DOI: 10.1124/mol.63.5.1094
BindingDB Entry DOI: 10.7270/Q2KH0PMD
More data for this
Ligand-Target Pair