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BDBM50353601 CHEMBL1829521

SMILES: CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1

InChI Key: InChIKey=FBFCHVYQDYUGKU-NNTMNUMBSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50353601   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50353601
PNG
(CHEMBL1829521)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1 |r,THB:10:9:5.7.6:19.20|
Show InChI InChI=1S/C31H36O14/c1-16(32)40-15-30-23(43-26(35)19-7-9-38-13-19)11-21-24(44-27(36)20-8-10-39-14-20)31(30,45-28(21,4)5)29(6,37)12-22(41-17(2)33)25(30)42-18(3)34/h7-10,13-14,21-25,37H,11-12,15H2,1-6H3/t21-,22+,23+,24-,25+,29+,30-,31+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 510n/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 daunomycin efflux after 30 mins by flow cytometry

Eur J Med Chem 46: 4915-23 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.048
BindingDB Entry DOI: 10.7270/Q2N29XB8
More data for this
Ligand-Target Pair