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PubMed code 24952376

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50021357
PNG
(CHEMBL3288586)
Show SMILES CCN(CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2C)cc1
Show InChI InChI=1S/C34H42N4O6/c1-9-38(10-2)25-14-11-22(12-15-25)18-27-26(17-23-13-16-28(40-4)29(19-23)41-5)35-34(37(27)3)36-33(39)24-20-30(42-6)32(44-8)31(21-24)43-7/h11-16,19-21H,9-10,17-18H2,1-8H3,(H,35,36,39)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 213n/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of p-glycoprotein in human MDA435/LCC6MDR cells assessed as concentration required to reduce taxol IC50 by half after 5 days by MTS assay


Eur J Med Chem 83: 74-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.016
BindingDB Entry DOI: 10.7270/Q2959K4C
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50021358
PNG
(CHEMBL3288595)
Show SMILES CCN(CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(N(C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)C(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)n2C)cc1
Show InChI InChI=1S/C48H56N4O10/c1-12-51(13-2)35-19-14-31(15-20-35)25-37-36(24-32-16-21-38(55-4)39(26-32)56-5)49-48(50(37)3)52(44(53)22-17-33-27-40(57-6)46(61-10)41(28-33)58-7)45(54)23-18-34-29-42(59-8)47(62-11)43(30-34)60-9/h14-23,26-30H,12-13,24-25H2,1-11H3/b22-17+,23-18+
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 211n/an/an/an/a



Ocean University of China

Curated by ChEMBL


Assay Description
Inhibition of p-glycoprotein in human MDA435/LCC6MDR cells assessed as concentration required to reduce taxol IC50 by half after 5 days by MTS assay


Eur J Med Chem 83: 74-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.016
BindingDB Entry DOI: 10.7270/Q2959K4C
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%