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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 = 'BDBM50139292'   
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))
BDBM50139292
PNG
(CHEMBL161346 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-28(37)26-10-5-18-40-26)30(38)36-15-6-13-35(16-17-36)14-7-19-39-23-11-12-24(25(31)20-23)27-33-29(41-34-27)22-8-3-2-4-9-22/h5,10-12,18,20-22H,2-4,6-9,13-17,19H2,1H3,(H,32,37)/t21-/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))
BDBM50139292
PNG
(CHEMBL161346 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-28(37)26-10-5-18-40-26)30(38)36-15-6-13-35(16-17-36)14-7-19-39-23-11-12-24(25(31)20-23)27-33-29(41-34-27)22-8-3-2-4-9-22/h5,10-12,18,20-22H,2-4,6-9,13-17,19H2,1H3,(H,32,37)/t21-/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
19n/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