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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50088576   
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))		BDBM50088576
PNG
(CHEMBL3577215)
Show SMILES [H][C@@]12[C@@H](O)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[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/C35H40O11/c1-20(36)42-24-19-33(5,41)35-28(39)26(32(3,4)46-35)27(44-25(38)18-17-22-13-9-7-10-14-22)30(34(35,6)29(24)43-21(2)37)45-31(40)23-15-11-8-12-16-23/h7-18,24,26-30,39,41H,19H2,1-6H3/b18-17+/t24-,26+,27-,28+,29-,30-,33-,34-,35-/m0/s1
PDB

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PC cid
PC sid
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Similars
Article
PubMed
 420n/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 transfected in mouse NIH/3T3 MDR1-G185 cells assessed as reduction in daunomycin accumulation after 30 mins by flow cytometr...

J Nat Prod 78: 736-45 (2015)


Article DOI: 10.1021/np500903a
BindingDB Entry DOI: 10.7270/Q2VX0J7F
More data for this
Ligand-Target Pair