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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM85062'   
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 receptor type 1A


(Homo sapiens (Human))
BDBM85062
PNG
(Luzindole,N-propanoyl | N 0889 | N-0889 | N-[2-(2-...)
Show SMILES CCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
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Article
PubMed
154n/an/an/an/an/an/an/an/a



Northwestern University

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 355: 365-75 (1997)


Article DOI: 10.1007/pl00004956
BindingDB Entry DOI: 10.7270/Q2416VKF
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM85062
PNG
(Luzindole,N-propanoyl | N 0889 | N-0889 | N-[2-(2-...)
Show SMILES CCC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
Show InChI InChI=1S/C20H22N2O/c1-2-20(23)21-13-12-17-16-10-6-7-11-18(16)22-19(17)14-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,21,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
776n/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
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair