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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50153729   
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))		BDBM50153729
PNG
(CHEMBL3774407)
Show SMILES [H][C@@]12[C@@H](OC(=O)N(C)C)[C@]3(OC1(C)C)[C@@](C)(O)CC[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C36H43NO10/c1-22(38)43-25-20-21-34(4,42)36-29(46-32(41)37(6)7)27(33(2,3)47-36)28(44-26(39)19-18-23-14-10-8-11-15-23)30(35(25,36)5)45-31(40)24-16-12-9-13-17-24/h8-19,25,27-30,42H,20-21H2,1-7H3/b19-18+/t25-,27+,28-,29+,30-,34-,35-,36-/m0/s1
PDB

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PC cid
PC sid
UniChem

Patents
Article
PubMed
 1.21E+3n/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