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BDBM50153733 CHEMBL3775128

SMILES: [H][C@@]12[C@@H](OC(=O)c3ccccc3)[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

InChI Key: InChIKey=IJJJDTLKUNGMEC-XNNNIRPDNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153733   
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))
BDBM50153733
PNG
(CHEMBL3775128)
Show SMILES [H][C@@]12[C@@H](OC(=O)c3ccccc3)[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=1/C40H42O10/c1-25(41)46-29-23-24-38(4,45)40-33(48-35(43)27-17-11-7-12-18-27)31(37(2,3)50-40)32(47-30(42)22-21-26-15-9-6-10-16-26)34(39(29,40)5)49-36(44)28-19-13-8-14-20-28/h6-22,29,31-34,45H,23-24H2,1-5H3/b22-21-/t29-,31+,32-,33+,34-,38-,39-,40-/s2
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
250n/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)


BindingDB Entry DOI: 10.7270/Q2CN75R5
More data for this
Ligand-Target Pair