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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 = 'BDBM50139328'   
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))
BDBM50139328
PNG
(CHEMBL348279 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)-c3ccoc3)c(F)c2)CC1
Show InChI InChI=1S/C28H30FN5O6/c1-19(30-26(35)24-5-2-14-39-24)28(36)34-11-3-9-33(12-13-34)10-4-15-38-21-6-7-22(23(29)17-21)25-31-27(40-32-25)20-8-16-37-18-20/h2,5-8,14,16-19H,3-4,9-13,15H2,1H3,(H,30,35)/t19-/m1/s1
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PC cid
PC sid
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Similars

PubMed
1.70n/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))
BDBM50139328
PNG
(CHEMBL348279 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)-c3ccoc3)c(F)c2)CC1
Show InChI InChI=1S/C28H30FN5O6/c1-19(30-26(35)24-5-2-14-39-24)28(36)34-11-3-9-33(12-13-34)10-4-15-38-21-6-7-22(23(29)17-21)25-31-27(40-32-25)20-8-16-37-18-20/h2,5-8,14,16-19H,3-4,9-13,15H2,1H3,(H,30,35)/t19-/m1/s1
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
85n/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