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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50221866   
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))		BDBM50221866
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-4-(benzoy...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1)OC(=O)c1ccccc1 |TLB:29:28:26.16.17:11.12|
Show InChI InChI=1S/C34H36O12/c1-19(35)42-27-24(43-28(36)20-11-7-6-8-12-20)18-32(4,39)34-26(45-30(38)23-14-10-16-41-23)21(31(2,3)46-34)17-25(33(27,34)5)44-29(37)22-13-9-15-40-22/h6-16,21,24-27,39H,17-18H2,1-5H3/t21-,24+,25+,26-,27+,32-,33-,34+/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 700n/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