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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50221825   
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))		BDBM50221825
PNG
((1S,2R,4S,5R,6S,7R,8S,9R,12R)-4,12-bis(acetyloxy)-...)
Show SMILES CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1S/C40H42O12/c1-23(41)47-28-22-38(5,46)40-32(48-24(2)42)29(37(3,4)52-40)30(49-34(43)25-16-10-7-11-17-25)33(51-36(45)27-20-14-9-15-21-27)39(40,6)31(28)50-35(44)26-18-12-8-13-19-26/h7-21,28-33,46H,22H2,1-6H3/t28-,29+,30-,31-,32+,33-,38+,39-,40-/m0/s1
PDB

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Similars
Article
PubMed
 910n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay

J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair