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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 = 'BDBM294410'   
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))
BDBM294410
PNG
(US9586959, Compound 77)
Show SMILES Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1 |r|
Show InChI InChI=1S/C13H12ClN7/c14-7-1-10-11(16-3-7)18-12(13-19-17-6-21(10)13)20-5-8-2-9(20)4-15-8/h1,3,6,8-9,15H,2,4-5H2/t8-,9-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in CHO-K1 cell membranes measured after 30 mins b...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b01855
BindingDB Entry DOI: 10.7270/Q2ZG6WZQ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM294410
PNG
(US9586959, Compound 77)
Show SMILES Clc1cnc2nc(N3C[C@@H]4C[C@H]3CN4)c3nncn3c2c1 |r|
Show InChI InChI=1S/C13H12ClN7/c14-7-1-10-11(16-3-7)18-12(13-19-17-6-21(10)13)20-5-8-2-9(20)4-15-8/h1,3,6,8-9,15H,2,4-5H2/t8-,9-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+8n/an/an/an/a7.427



C&C RESEARCH LABORATORIES

US Patent


Assay Description
Each compound of the present invention prepared in the examples was prepared in DMSO into concentrations of 0.02, 0.06, 0.3 and 2 mM. 10 uL of the pr...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair