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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P-glycoprotein 1' and Ligand = 'BDBM50428347'   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50428347
PNG
(CHEMBL2331716)
Show SMILES COCCOCCOCCOc1cc2CCN(CCc3ccc(cc3)-c3ccc(C(=O)OC)c(NC(=O)c4ccc5ccccc5n4)c3)Cc2cc1OCCOCCOCCOC
Show InChI InChI=1S/C49H59N3O11/c1-55-20-22-58-24-26-60-28-30-62-46-33-40-17-19-52(35-41(40)34-47(46)63-31-29-61-27-25-59-23-21-56-2)18-16-36-8-10-37(11-9-36)39-12-14-42(49(54)57-3)45(32-39)51-48(53)44-15-13-38-6-4-5-7-43(38)50-44/h4-15,32-34H,16-31,35H2,1-3H3,(H,51,53)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.99E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 in human KBV1 cells after 10 mins by Calcein-AM microplate assay


ACS Med Chem Lett 4: 393-6 (2013)


Article DOI: 10.1021/ml4000832
BindingDB Entry DOI: 10.7270/Q2T72JRQ
More data for this
Ligand-Target Pair