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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 = 'BDBM50515961'   
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))		BDBM50515961
PNG
(CHEMBL4513635)
Show SMILES COc1cc(\C=C\C(=O)OCCCCCCCN(C)C[C@@H](C)COC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC |r|
Show InChI InChI=1S/C39H47NO7/c1-28(27-47-39(42)37-32-17-11-9-15-30(32)25-31-16-10-12-18-33(31)37)26-40(2)21-13-7-6-8-14-22-46-36(41)20-19-29-23-34(43-3)38(45-5)35(24-29)44-4/h9-12,15-20,23-25,28H,6-8,13-14,21-22,26-27H2,1-5H3/b20-19+/t28-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 990n/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