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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 = 'BDBM50139309'   
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))
BDBM50139309
PNG
((R)-2-Amino-1-(4-{3-[4-(5-cyclopropyl-[1,2,4]oxadi...)
Show SMILES C[C@@H](N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C22H30FN5O3/c1-15(24)22(29)28-10-2-8-27(11-12-28)9-3-13-30-17-6-7-18(19(23)14-17)20-25-21(31-26-20)16-4-5-16/h6-7,14-16H,2-5,8-13,24H2,1H3/t15-/m1/s1
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PC cid
PC sid
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Similars

PubMed
3n/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))
BDBM50139309
PNG
((R)-2-Amino-1-(4-{3-[4-(5-cyclopropyl-[1,2,4]oxadi...)
Show SMILES C[C@@H](N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C22H30FN5O3/c1-15(24)22(29)28-10-2-8-27(11-12-28)9-3-13-30-17-6-7-18(19(23)14-17)20-25-21(31-26-20)16-4-5-16/h6-7,14-16H,2-5,8-13,24H2,1H3/t15-/m1/s1
PDB

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UniProtKB/SwissProt

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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
240n/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