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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50364960'   
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))
BDBM50364960
PNG
(CHEMBL1950746)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:6|
Show InChI InChI=1S/C20H27N3O2/c1-14-13-19(24)21-22-20(14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,14,16,18H,2-4,9-13H2,1H3,(H,21,24)/t14-/m1/s1
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Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50364960
PNG
(CHEMBL1950746)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:6|
Show InChI InChI=1S/C20H27N3O2/c1-14-13-19(24)21-22-20(14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,14,16,18H,2-4,9-13H2,1H3,(H,21,24)/t14-/m1/s1
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Article
PubMed
9.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50364960
PNG
(CHEMBL1950746)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(OC2CCN(CC2)C2CCC2)cc1 |r,c:6|
Show InChI InChI=1S/C20H27N3O2/c1-14-13-19(24)21-22-20(14)15-5-7-17(8-6-15)25-18-9-11-23(12-10-18)16-3-2-4-16/h5-8,14,16,18H,2-4,9-13H2,1H3,(H,21,24)/t14-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair