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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1B' and Ligand = 'BDBM50282758'   
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 1B


(Homo sapiens (Human))
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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Article
PubMed
12.7n/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 1B


(Homo sapiens (Human))
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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Article
PubMed
12.7n/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 1B


(Homo sapiens (Human))
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
PDB

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Article
PubMed
64.6n/an/an/an/an/an/an/an/a



Universit&agrove; degli Studi di Milano

Curated by PDSP Ki Database




Br J Pharmacol 127: 1288-94 (1999)


Article DOI: 10.1038/sj.bjp.0702658
BindingDB Entry DOI: 10.7270/Q20G3HQ6
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM50282758
PNG
(CHEMBL33171 | N-Acetyltryptamine | N-[2-(1H-Indol-...)
Show SMILES CC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
PDB

Reactome pathway
KEGG

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CHEMBL
MCE
PC cid
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Article
PubMed
90n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair