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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 = 'BDBM50344755'   
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))		BDBM50344755
PNG
(CHEMBL1779524 | N-{4-[2-(7-Methoxy-6-{2-[2-(2-meth...)
Show SMILES COCCOCCOCCOc1cc2CCN(CCc3ccc(NC(=O)c4ccc(C(=O)OC)c(NC(=O)c5ccc6ccccc6n5)c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C44H48N4O9/c1-52-20-21-55-22-23-56-24-25-57-41-27-32-17-19-48(29-34(32)28-40(41)53-2)18-16-30-8-12-35(13-9-30)45-42(49)33-10-14-36(44(51)54-3)39(26-33)47-43(50)38-15-11-31-6-4-5-7-37(31)46-38/h4-15,26-28H,16-25,29H2,1-3H3,(H,45,49)(H,47,50)
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