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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 = 'BDBM50275949'   
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))		BDBM50275949
PNG
((4R,13S,19R,28R)-7,9,22,24-tetrabromo-14,14,29,29-...)
Show SMILES CC1(C)OC2=C([C@@H]3[C@H]1COc1c(Br)cc(Br)cc31)C(=O)C1=C([C@@H]3[C@@H](OCc4c(Br)cc(Br)cc34)C(C)(C)O1)C2=O |r,c:4,t:23|
Show InChI InChI=1S/C30H24Br4O6/c1-29(2)16-10-37-25-14(6-12(32)8-18(25)34)19(16)21-23(35)27-22(24(36)26(21)39-29)20-13-5-11(31)7-17(33)15(13)9-38-28(20)30(3,4)40-27/h5-8,16,19-20,28H,9-10H2,1-4H3/t16-,19+,20-,28-/m1/s1
PDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
 1.01E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry

J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair