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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 = 'BDBM50360897'   
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))
BDBM50360897
PNG
(CHEMBL1935108)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(Cc2ccccc2)C(=O)CC1 |r,t:18|
Show InChI InChI=1S/C25H31N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-13,20H,5-7,14-19H2,1H3/t20-/m1/s1
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Article
PubMed
2n/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: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360897
PNG
(CHEMBL1935108)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NN(Cc2ccccc2)C(=O)CC1 |r,t:18|
Show InChI InChI=1S/C25H31N3O2/c1-20-7-5-16-27(20)17-6-18-30-23-12-10-22(11-13-23)24-14-15-25(29)28(26-24)19-21-8-3-2-4-9-21/h2-4,8-13,20H,5-7,14-19H2,1H3/t20-/m1/s1
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PC cid
PC sid
UniChem

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Article
PubMed
25n/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: 194-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.037
BindingDB Entry DOI: 10.7270/Q25Q4WJV
More data for this
Ligand-Target Pair