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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50154915   
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))		BDBM50154915
PNG
(CHEMBL3775674)
Show SMILES [H][C@]12[C@H](OC(=O)\C=C\c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)C2=O)OC(C)=O |r|
Show InChI InChI=1S/C33H36O9/c1-20(34)39-23-18-19-31(4,38)33-27(36)25(30(2,3)42-33)26(40-24(35)17-16-21-12-8-6-9-13-21)28(32(23,33)5)41-29(37)22-14-10-7-11-15-22/h6-17,23,25-26,28,38H,18-19H2,1-5H3/b17-16+/t23-,25+,26-,28-,31-,32-,33-/m0/s1
PDB

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PC cid
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Similars
Article
PubMed
 630n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Org£nica"Antonio Gonz£lez"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry

J Med Chem 59: 1880-90 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01429
BindingDB Entry DOI: 10.7270/Q2CN75R5
More data for this
Ligand-Target Pair