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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Melatonin' and Ligand = 'BDBM50043289'   
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
Melatonin


(Sheep)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Massachusetts General Hospital

Curated by PDSP Ki Database




Neuron 13: 1177-85 (1994)


Article DOI: 10.1016/0896-6273(94)90055-8
BindingDB Entry DOI: 10.7270/Q27P8WXK
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
UniProtKB/SwissProt

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PubMed
0.460n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(GUINEA PIG)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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PubMed
0.740n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research and Development, Ltd.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 285: 1239-45 (1998)


BindingDB Entry DOI: 10.7270/Q2PK0DPM
More data for this
Ligand-Target Pair
Melatonin


(RABBIT)
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Rowett Research Institute

Curated by PDSP Ki Database




Neurochem Int 24: 101-46 (1994)


Article DOI: 10.1016/j.bioorg.2015.03.004
BindingDB Entry DOI: 10.7270/Q2SJ1J42
More data for this
Ligand-Target Pair