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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 = 'BDBM50405116'   
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))
BDBM50405116
PNG
(CHEMBL4177416)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 0.300n/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))
BDBM50405116
PNG
(CHEMBL4177416)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1cc(F)cc(F)c1
Show InChI InChI=1S/C17H18N5O10PS/c23-12-10(5-31-33(28,29)30)32-16(13(12)24)21-7-18-11-14(21)19-17(20-15(11)25)34-6-8-1-3-9(4-2-8)22(26)27/h1-4,7,10,12-13,16,23-24H,5-6H2,(H,19,20,25)(H2,28,29,30)/t10-,12-,13-,16?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.300n/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