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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P-glycoprotein (P-gp)' and Ligand = 'BDBM50140870'   
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 (P-gp)


(Mus musculus (Mouse))
BDBM50140870
PNG
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12)[N+]([O-])=O
Show InChI InChI=1S/C26H26F2N6O4/c1-2-38-23(35)15-33-22-6-4-18(34(36)37)14-19(22)24-25(33)26(30-16-29-24)32-11-9-31(10-12-32)8-7-17-3-5-20(27)21(28)13-17/h3-6,13-14,16H,2,7-12,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in single-dose potentiation assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein (P-gp)


(Mus musculus (Mouse))
BDBM50140870
PNG
((4-{4-[2-(3,4-Difluoro-phenyl)-ethyl]-piperazin-1-...)
Show SMILES CCOC(=O)Cn1c2ccc(cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c12)[N+]([O-])=O
Show InChI InChI=1S/C26H26F2N6O4/c1-2-38-23(35)15-33-22-6-4-18(34(36)37)14-19(22)24-25(33)26(30-16-29-24)32-11-9-31(10-12-32)8-7-17-3-5-20(27)21(28)13-17/h3-6,13-14,16H,2,7-12,15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Xenova Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against P-glycoprotein expressed in murine mammary carcinoma (EMT6/AR1.0 cell line) in accumulation assay


Citation and Details
More data for this
Ligand-Target Pair