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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Multidrug resistance-associated protein 1' and Ligand = 'BDBM50363110'   
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 1


(Homo sapiens (Human))
BDBM50363110
PNG
(CHEMBL1945973)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H14F2N2O6/c1-30-18-8-12(7-17(25)19(18)26)20(27)23-15-3-2-10(6-16(15)24(28)29)11-4-13(21)9-14(22)5-11/h2-9,25-26H,1H3,(H,23,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay


J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair