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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50154914'   
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))		BDBM50154914
PNG
(CHEMBL3775641)
Show SMILES [H][C@@]12[C@@H](Cl)[C@]3(OC1(C)C)[C@@](C)(Cl)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/C33H36Cl2O7/c1-20(36)39-23-18-19-31(4,35)33-27(34)25(30(2,3)42-33)26(40-24(37)17-16-21-12-8-6-9-13-21)28(32(23,33)5)41-29(38)22-14-10-7-11-15-22/h6-17,23,25-28H,18-19H2,1-5H3/b17-16+/t23-,25+,26-,27+,28-,31-,32-,33-/m0/s1
PDB

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.34E+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