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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor H3' and Ligand = 'BDBM50442629'   
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 receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50442629
PNG
(CHEMBL2441639)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)C2CC3CCC2C3)c(C)c1 |r|
Show InChI InChI=1S/C24H35N3O/c1-16-12-20(26-11-9-21(15-26)27-10-3-4-17(27)2)7-8-23(16)25-24(28)22-14-18-5-6-19(22)13-18/h7-8,12,17-19,21-22H,3-6,9-11,13-15H2,1-2H3,(H,25,28)/t17-,18?,19?,21-,22?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.550n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 23: 6141-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.006
BindingDB Entry DOI: 10.7270/Q24T6KT6
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50442629
PNG
(CHEMBL2441639)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)C2CC3CCC2C3)c(C)c1 |r|
Show InChI InChI=1S/C24H35N3O/c1-16-12-20(26-11-9-21(15-26)27-10-3-4-17(27)2)7-8-23(16)25-24(28)22-14-18-5-6-19(22)13-18/h7-8,12,17-19,21-22H,3-6,9-11,13-15H2,1-2H3,(H,25,28)/t17-,18?,19?,21-,22?/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 23: 6141-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.006
BindingDB Entry DOI: 10.7270/Q24T6KT6
More data for this
Ligand-Target Pair