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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin 1C' and Ligand = 'BDBM85239'   
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 1C


(Xenopus)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.25n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
1.27n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)

More data for this
Ligand-Target Pair