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Compile Data Set for Download or QSAR

Found 3 hits of ec50 for monomerid = 30126   
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
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
NCI pathway
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UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/a>1.00E+5n/an/an/an/a



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12 |c:18,t:11|
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5>-22.6n/an/a>1.00E+5n/an/a7.422



Human BioMolecular Research Institute



Assay Description
Binding affinity of each compound was measured by assessing the potency of inhibition of binding of radiolabeled RTI-55. Membranes were preincubated ...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair