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BDBM50403703 CHEMBL37203

SMILES: CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O

InChI Key: InChIKey=PBDWEPPZSHZNKO-HOXSDCPRSA-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 = 50403703   
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))
BDBM50403703
PNG
(CHEMBL37203)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C22H31NO6/c1-13(2)20-21(26)23(5)17(11-16-9-7-6-8-10-16)18(24)12-19(25)28-15(4)14(3)22(27)29-20/h6-10,13-15,17-18,20,24H,11-12H2,1-5H3/t14-,15+,17-,18+,20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+4n/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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50403703
PNG
(CHEMBL37203)
Show SMILES CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C22H31NO6/c1-13(2)20-21(26)23(5)17(11-16-9-7-6-8-10-16)18(24)12-19(25)28-15(4)14(3)22(27)29-20/h6-10,13-15,17-18,20,24H,11-12H2,1-5H3/t14-,15+,17-,18+,20-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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