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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 = 'BDBM50363088'   
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))		BDBM50363088
PNG
(CHEMBL1945303)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C20H18N2O6S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(23)21-14-7-6-12(9-15(14)22(24)25)18-5-4-8-29-18/h4-11H,1-3H3,(H,21,23)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.73E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair