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BDBM50241641 (+)-Homoaromoline::CHEMBL509855::Homoaromoline::Limacusine (R,S)

SMILES: COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34

InChI Key: InChIKey=YJRWQNIRFXVBRB-WDYNHAJCSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50241641   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50241641
PNG
((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dopamine transporter-mediated [3H]dopamine uptake in Wistar rat striatal synaptosomes by liquid scintillation spectrometry


J Nat Prod 58: 1475-1484 (1995)


Article DOI: 10.1021/np50124a001
BindingDB Entry DOI: 10.7270/Q2XK8FKW
More data for this
Ligand-Target Pair
Trypanothione Reductase (TR)


(Crithidia fasciculata)
BDBM50241641
PNG
((+)-Homoaromoline | CHEMBL509855 | Homoaromoline |...)
Show SMILES COc1ccc2C[C@H]3N(C)CCc4cc(OC)c(Oc5c(O)c(OC)cc6CCN(C)[C@@H](Cc7ccc(Oc1c2)cc7)c56)cc34
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-31(42-4)33-21-27(24)28(38)17-23-8-11-30(41-3)32(18-23)44-26-9-6-22(7-10-26)16-29-35-25(13-15-39(29)2)20-34(43-5)36(40)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 5.50E+4n/an/an/an/a7.825



ORSTOM



Assay Description
Crithidia fasciculata trypanothione reductase (cfTR) was purifed from E.coli using the expression system. The activity of the cfTR was observed from...


J Enzym Inhib 13: 1-9 (1998)


BindingDB Entry DOI: 10.7270/Q29Z93FJ
More data for this
Ligand-Target Pair