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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 = 'BDBM50139294'   
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))
BDBM50139294
PNG
(CHEMBL14720 | Furan-2-carboxylic acid [(R)-2-(4-{3...)
Show SMILES CC(C)Cc1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C28H36FN5O5/c1-19(2)17-25-31-26(32-39-25)22-9-8-21(18-23(22)29)37-16-6-11-33-10-5-12-34(14-13-33)28(36)20(3)30-27(35)24-7-4-15-38-24/h4,7-9,15,18-20H,5-6,10-14,16-17H2,1-3H3,(H,30,35)/t20-/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))
BDBM50139294
PNG
(CHEMBL14720 | Furan-2-carboxylic acid [(R)-2-(4-{3...)
Show SMILES CC(C)Cc1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C28H36FN5O5/c1-19(2)17-25-31-26(32-39-25)22-9-8-21(18-23(22)29)37-16-6-11-33-10-5-12-34(14-13-33)28(36)20(3)30-27(35)24-7-4-15-38-24/h4,7-9,15,18-20H,5-6,10-14,16-17H2,1-3H3,(H,30,35)/t20-/m1/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
33n/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