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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 = 'BDBM50139298'   
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


(Rattus norvegicus (rat))
BDBM50139298
PNG
(CHEMBL352439 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H40FN5O4/c1-22-8-3-6-11-26(22)31(39)34-23(2)32(40)38-17-15-37(16-18-38)14-7-19-41-25-12-13-27(28(33)21-25)30-35-29(42-36-30)20-24-9-4-5-10-24/h3,6,8,11-13,21,23-24H,4-5,7,9-10,14-20H2,1-2H3,(H,34,39)/t23-/m1/s1
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PC cid
PC sid
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Similars

PubMed
2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139298
PNG
(CHEMBL352439 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H40FN5O4/c1-22-8-3-6-11-26(22)31(39)34-23(2)32(40)38-17-15-37(16-18-38)14-7-19-41-25-12-13-27(28(33)21-25)30-35-29(42-36-30)20-24-9-4-5-10-24/h3,6,8,11-13,21,23-24H,4-5,7,9-10,14-20H2,1-2H3,(H,34,39)/t23-/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human histamine H3 receptor on human colon cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair