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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 = 'BDBM50442630'   
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))
BDBM50442630
PNG
(CHEMBL2441638)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)C2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C23H35N3O/c1-17-15-20(25-14-12-21(16-25)26-13-6-7-18(26)2)10-11-22(17)24-23(27)19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)/t18-,21-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.390n/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))
BDBM50442630
PNG
(CHEMBL2441638)
Show SMILES C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)C2CCCCC2)c(C)c1 |r|
Show InChI InChI=1S/C23H35N3O/c1-17-15-20(25-14-12-21(16-25)26-13-6-7-18(26)2)10-11-22(17)24-23(27)19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H,24,27)/t18-,21-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/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