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BDBM50234488 CHEMBL272036::N-(3,4-dimethoxybenzyl)-2-(3-methoxyphenethyl)aniline::N-[(3,4-dimethoxy)benzyl]-2-[2-(3-methoxyphenyl)ethyl]aniline

SMILES: COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1

InChI Key: InChIKey=IPXHDKAGTKPTNS-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50234488   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50234488
PNG
(CHEMBL272036 | N-(3,4-dimethoxybenzyl)-2-(3-methox...)
Show SMILES COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 (unknown origin)


J Med Chem 51: 7602-13 (2008)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50234488
PNG
(CHEMBL272036 | N-(3,4-dimethoxybenzyl)-2-(3-methox...)
Show SMILES COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 500n/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human BCRP pump mediated [3H]mitoxantrone transport in human Caco-2 cells


J Med Chem 51: 1415-22 (2008)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50234488
PNG
(CHEMBL272036 | N-(3,4-dimethoxybenzyl)-2-(3-methox...)
Show SMILES COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 180n/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein mediated [3H]vinblastine transport in human Caco-2 cells


J Med Chem 51: 1415-22 (2008)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50234488
PNG
(CHEMBL272036 | N-(3,4-dimethoxybenzyl)-2-(3-methox...)
Show SMILES COc1cccc(CCc2ccccc2NCc2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C24H27NO3/c1-26-21-9-6-7-18(15-21)11-13-20-8-4-5-10-22(20)25-17-19-12-14-23(27-2)24(16-19)28-3/h4-10,12,14-16,25H,11,13,17H2,1-3H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin)


J Med Chem 51: 7602-13 (2008)

More data for this
Ligand-Target Pair