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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50537908'   
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))
BDBM50537908
PNG
(CHEMBL4641108)
Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01989
BindingDB Entry DOI: 10.7270/Q2QZ2FV4
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))
BDBM50537908
PNG
(CHEMBL4641108)
Show SMILES [H][C@]12CN([C@@H](Cc3ccccc3)CN1C(=O)[C@]1(O)[C@H](c3c(cc4OCOc4c3OC)[C@]21[H])c1ccccc1)C(C)=O |r|
Show InChI InChI=1S/C31H30N2O6/c1-18(34)32-16-23-27-22-14-24-28(39-17-38-24)29(37-2)25(22)26(20-11-7-4-8-12-20)31(27,36)30(35)33(23)15-21(32)13-19-9-5-3-6-10-19/h3-12,14,21,23,26-27,36H,13,15-17H2,1-2H3/t21-,23+,26-,27+,31-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Reversal of P-gp mediated multidrug resistance in human SW620/AD300 cells assessed as potentiation of doxorubicin-induced antiproliferative activity ...


J Nat Prod 83: 497-504 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01181
BindingDB Entry DOI: 10.7270/Q23F4T65
More data for this
Ligand-Target Pair