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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 = 'BDBM50515952'   
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))		BDBM50515952
PNG
(CHEMBL4473662)
Show SMILES COc1cc(\C=C\C(=O)OC[C@@H](C)CN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC |r|
Show InChI InChI=1S/C37H43NO7/c1-26(25-45-34(39)18-17-27-21-32(41-3)36(43-5)33(22-27)42-4)24-38(2)19-11-6-12-20-44-37(40)35-30-15-9-7-13-28(30)23-29-14-8-10-16-31(29)35/h7-10,13-18,21-23,26H,6,11-12,19-20,24-25H2,1-5H3/b18-17+/t26-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 690n/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