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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 = 'BDBM50344761'   
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))		BDBM50344761
PNG
(CHEMBL1779518 | N-{4-[2-(6,7-Dimethoxy-3,4-dihydro...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(O)=O)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C37H34N4O6/c1-46-33-20-25-16-18-41(22-27(25)21-34(33)47-2)17-15-23-7-11-28(12-8-23)38-35(42)26-9-13-29(37(44)45)32(19-26)40-36(43)31-14-10-24-5-3-4-6-30(24)39-31/h3-14,19-21H,15-18,22H2,1-2H3,(H,38,42)(H,40,43)(H,44,45)
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Universidad Nacional de Colombia

Curated by ChEMBL


Assay Description
Inhibition of ABCB1 expressed in Kb-V1 cells after 10 mins by calcein-AM assay

Bioorg Med Chem Lett 21: 3654-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.094
BindingDB Entry DOI: 10.7270/Q22J6C5T
More data for this
Ligand-Target Pair