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BDBM50139447 CHEMBL3765802

SMILES: COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1

InChI Key: InChIKey=ZTNOEZFOSGUDDA-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50139447   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50139447
PNG
(CHEMBL3765802)
Show SMILES COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
Show InChI InChI=1S/C23H26N2O5/c1-27-17-6-4-16(5-7-17)15-24-8-10-25(11-9-24)22-14-19(26)23-20(29-3)12-18(28-2)13-21(23)30-22/h4-7,12-14H,8-11,15H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of human MRP1 transfected in MDCK2 cells assessed as inhibition of calcein-AM efflux


Eur J Med Chem 109: 124-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.010
BindingDB Entry DOI: 10.7270/Q2DV1MQ6
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50139447
PNG
(CHEMBL3765802)
Show SMILES COc1ccc(CN2CCN(CC2)c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1
Show InChI InChI=1S/C23H26N2O5/c1-27-17-6-4-16(5-7-17)15-24-8-10-25(11-9-24)22-14-19(26)23-20(29-3)12-18(28-2)13-21(23)30-22/h4-7,12-14H,8-11,15H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human MCF7/Topo cells by Hoechst 33342 assay


Eur J Med Chem 109: 124-33 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.010
BindingDB Entry DOI: 10.7270/Q2DV1MQ6
More data for this
Ligand-Target Pair