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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50130290'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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Article
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2.13E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by PDSP Ki Database




Neuropsychopharmacology 28: 519-26 (2003)


Article DOI: 10.1038/sj.npp.1300027
BindingDB Entry DOI: 10.7270/Q2833QKK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Ann N Y Acad Sci 537: 435-42 (1988)


Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
PDB

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Eur J Pharmacol 103: 197-204 (1984)


Article DOI: 10.1016/0014-2999(84)90478-3
BindingDB Entry DOI: 10.7270/Q2WW7G5B
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50130290
PNG
(3-Ethyl-2-methyl-5-morpholin-4-ylmethyl-1,5,6,7-te...)
Show SMILES CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H24N2O2/c1-3-13-11(2)17-14-5-4-12(16(19)15(13)14)10-18-6-8-20-9-7-18/h12,17H,3-10H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
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KEGG
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Brain Res 304: 1-7 (1984)


Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS
More data for this
Ligand-Target Pair