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BDBM50088577 CHEMBL3577214

SMILES: [H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O

InChI Key: InChIKey=JLOITWJNBYVRLW-RVWOOVRONA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088577   
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))
BDBM50088577
PNG
(CHEMBL3577214)
Show SMILES [H][C@@]12[C@@H](OC(=O)c3ccccc3)[C@]3(OC1(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(C)=O |r|
Show InChI InChI=1/C37H42O14/c1-20(38)45-19-36-29(48-23(4)41)26(46-21(2)39)18-35(7,44)37(36)30(49-32(42)24-14-10-8-11-15-24)27(34(5,6)51-37)28(47-22(3)40)31(36)50-33(43)25-16-12-9-13-17-25/h8-17,26-31,44H,18-19H2,1-7H3/t26-,27+,28-,29-,30+,31-,35-,36-,37-/s2
PDB

UniProtKB/SwissProt

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

Patents

Article
PubMed
780n/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