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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50405119'   
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 H3 receptor


(Homo sapiens (Human))
BDBM50405119
PNG
(CHEMBL4176601)
Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.70n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50405119
PNG
(CHEMBL4176601)
Show SMILES COc1cc(NC2(C(=O)N(C(=O)C2=Cc2ccccc2)C(C)(C)C)c2ccc(Br)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17ClN5O10PS/c18-8-3-7(23(27)28)2-1-6(8)5-35-17-21-14-10(16(26)22-17)19-15(20-14)13-12(25)11(24)9(33-13)4-32-34(29,30)31/h1-3,9,11-13,24-25H,4-5H2,(H2,29,30,31)(H2,19,20,21,22,26)/t9-,11-,12-,13?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.60n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair