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BDBM50480843 CHEMBL575455

SMILES: CCOC(=O)CSc1nc(N)c2c3CCCc3sc2n1

InChI Key: InChIKey=XNPLOJGSFOBVNS-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50480843   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50480843
PNG
(CHEMBL575455)
Show SMILES CCOC(=O)CSc1nc(N)c2c3CCCc3sc2n1
Show InChI InChI=1S/C13H15N3O2S2/c1-2-18-9(17)6-19-13-15-11(14)10-7-4-3-5-8(7)20-12(10)16-13/h2-6H2,1H3,(H2,14,15,16)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.15E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Modulation of P-gp overexpressed in human A2780 cells assessed as daunorubicin accumulation preincubated 15 mins prior to daunorubicin addition measu...


Bioorg Med Chem Lett 19: 6102-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.023
BindingDB Entry DOI: 10.7270/Q2GM8B44
More data for this
Ligand-Target Pair