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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 = 'BDBM50479809'   
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))		BDBM50479809
PNG
(CHEMBL472761)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc5ccccc5n4)cc3)Cc2cc1OC
Show InChI InChI=1S/C29H29N3O3/c1-34-27-17-22-14-16-32(19-23(22)18-28(27)35-2)15-13-20-7-10-24(11-8-20)30-29(33)26-12-9-21-5-3-4-6-25(21)31-26/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,33)
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein-mediated multidrug resistance in adriamycin-resistant human A2780/ADR cells by calcein AM assay

Bioorg Med Chem 17: 2524-35 (2009)


Article DOI: 10.1016/j.bmc.2009.01.072
BindingDB Entry DOI: 10.7270/Q2X63QS6
More data for this
Ligand-Target Pair