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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 = 'BDBM50111912'   
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))		BDBM50111912
PNG
(2-[3-(9-Chloro-3-methyl-4-oxo-4H-isoxazolo[4,3-c]q...)
Show SMILES COc1cc(NC(=O)Cc2cccc(c2)-n2c3cccc(Cl)c3c3noc(C)c3c2=O)cc(OC)c1
Show InChI InChI=1S/C27H22ClN3O5/c1-15-24-26(30-36-15)25-21(28)8-5-9-22(25)31(27(24)33)18-7-4-6-16(10-18)11-23(32)29-17-12-19(34-2)14-20(13-17)35-3/h4-10,12-14H,11H2,1-3H3,(H,29,32)
PDB

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 2.10E+3n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro for its inhibitory activity against MRP1-transfected HeLa-T5 cell line in the presence of doxorubicin

Bioorg Med Chem Lett 12: 883-6 (2002)


BindingDB Entry DOI: 10.7270/Q2SB4534
More data for this
Ligand-Target Pair