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BDBM50403700 CHEMBL8097

SMILES: CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C

InChI Key: InChIKey=LMKYKYILQNHPKH-PXVQWCDCSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50403700   
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))
BDBM50403700
PNG
(CHEMBL8097)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C26H39NO6/c1-5-6-7-8-12-15-23-18(2)26(31)32-19(3)25(30)27(4)21(22(28)17-24(29)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,28H,5-8,12,15-17H2,1-4H3/t18-,19-,21-,22+,23+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.71E+4n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Evaluated for cytotoxicity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycoprotein) in t...


Bioorg Med Chem Lett 9: 1541-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00243-7
BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50403700
PNG
(CHEMBL8097)
Show SMILES CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](C)OC(=O)[C@H]1C
Show InChI InChI=1S/C26H39NO6/c1-5-6-7-8-12-15-23-18(2)26(31)32-19(3)25(30)27(4)21(22(28)17-24(29)33-23)16-20-13-10-9-11-14-20/h9-11,13-14,18-19,21-23,28H,5-8,12,15-17H2,1-4H3/t18-,19-,21-,22+,23+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Multidrug-resistant reversal activity using P388/VMDRC.04 cells (a subline of P388 murine leukemia cells expressing human recombinant human P-glycopr...


Bioorg Med Chem Lett 9: 1541-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00243-7
BindingDB Entry DOI: 10.7270/Q22R3ST7
More data for this
Ligand-Target Pair