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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 = 'BDBM50140809'   
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))
BDBM50140809
PNG
(4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-y...)
Show SMILES Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2n3CCCCc3c(C#N)c2n1
Show InChI InChI=1S/C30H30F2N6/c1-20-6-2-3-7-22(20)29-34-27-23(19-33)26-8-4-5-12-38(26)28(27)30(35-29)37-16-14-36(15-17-37)13-11-21-9-10-24(31)25(32)18-21/h2-3,6-7,9-10,18H,4-5,8,11-17H2,1H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against human transporter MRP1 (Multidrug resistance associated protein 1) expressed in COR.L23/R cell line


J Med Chem 47: 1329-38 (2004)


Article DOI: 10.1021/jm031011g
BindingDB Entry DOI: 10.7270/Q25Q4VH0
More data for this
Ligand-Target Pair