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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Transporter' and Ligand = 'BDBM50452191'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transporter


(Rattus norvegicus)
BDBM50452191
PNG
(CHEMBL2093943)
Show SMILES Cl.[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r|
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18+;/m1./s1
PDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
64.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50452191
PNG
(CHEMBL2093943)
Show SMILES Cl.[H][C@@]12CCCN1C[C@H](c1ccccc1)c1ccccc21 |r|
Show InChI InChI=1S/C18H19N.ClH/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17;/h1-5,7-10,17-18H,6,11-13H2;1H/t17-,18+;/m1./s1
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
65n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine (NE) into rat brain synaptosomes


J Med Chem 27: 943-6 (1984)


BindingDB Entry DOI: 10.7270/Q2VT1SPH
More data for this
Ligand-Target Pair