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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50515950'   
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))		BDBM50515950
PNG
(CHEMBL4549866)
Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)C[C@H](C)COC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC |r|
Show InChI InChI=1S/C35H39NO7/c1-24(23-43-35(38)33-28-13-8-6-11-26(28)21-27-12-7-9-14-29(27)33)22-36(2)17-10-18-42-32(37)16-15-25-19-30(39-3)34(41-5)31(20-25)40-4/h6-9,11-16,19-21,24H,10,17-18,22-23H2,1-5H3/b16-15+/t24-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 910n/an/an/an/a



University of Florence

Curated by ChEMBL


Assay Description
Inhibition of P-gp (unknown origin) expressed in MDCK-MDR1 cells assessed as increase in calcein-AM accumulation incubated for 30 mins by calcein-AM ...

Eur J Med Chem 182: (2019)


Article DOI: 10.1016/j.ejmech.2019.111655
BindingDB Entry DOI: 10.7270/Q2ZW1Q9C
More data for this
Ligand-Target Pair