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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 = 'BDBM50139335'   
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))
BDBM50139335
PNG
(CHEMBL162355 | Furan-2-carboxylic acid {(R)-2-[4-(...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC(C)(C)C)n3)c(F)c2)CC1
Show InChI InChI=1S/C29H38FN5O5/c1-20(31-27(36)24-8-5-16-39-24)28(37)35-13-6-11-34(14-15-35)12-7-17-38-21-9-10-22(23(30)18-21)26-32-25(40-33-26)19-29(2,3)4/h5,8-10,16,18,20H,6-7,11-15,17,19H2,1-4H3,(H,31,36)/t20-/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))
BDBM50139335
PNG
(CHEMBL162355 | Furan-2-carboxylic acid {(R)-2-[4-(...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC(C)(C)C)n3)c(F)c2)CC1
Show InChI InChI=1S/C29H38FN5O5/c1-20(31-27(36)24-8-5-16-39-24)28(37)35-13-6-11-34(14-15-35)12-7-17-38-21-9-10-22(23(30)18-21)26-32-25(40-33-26)19-29(2,3)4/h5,8-10,16,18,20H,6-7,11-15,17,19H2,1-4H3,(H,31,36)/t20-/m1/s1
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
40n/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