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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 = 'BDBM50355120'   
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))
BDBM50355120
PNG
(CHEMBL1835782)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r|
Show InChI InChI=1S/C22H29N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16H,3-8,13-15H2,1-2H3/t16-/m1/s1
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Article
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0.400n/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 21: 6126-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50355120
PNG
(CHEMBL1835782)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r|
Show InChI InChI=1S/C22H29N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16H,3-8,13-15H2,1-2H3/t16-/m1/s1
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2n/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 21: 6126-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50355120
PNG
(CHEMBL1835782)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1nn(C)c(=O)c2CCCc12 |r|
Show InChI InChI=1S/C22H29N3O2/c1-16-6-4-13-25(16)14-5-15-27-18-11-9-17(10-12-18)21-19-7-3-8-20(19)22(26)24(2)23-21/h9-12,16H,3-8,13-15H2,1-2H3/t16-/m1/s1
PDB

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Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as decrease of basal activity of [35S]GTPgammaS binding


Bioorg Med Chem Lett 21: 6126-30 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.045
BindingDB Entry DOI: 10.7270/Q2T72JFP
More data for this
Ligand-Target Pair