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BDBM50509922 CHEMBL4575319

SMILES: [H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2

InChI Key: InChIKey=MRNMYWNBLVJWKG-GASCZTMLSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50509922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50509922
PNG
(CHEMBL4575319)
Show SMILES [H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2 |r|
Show InChI InChI=1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)/t14-,15+
UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Jiangsu Marine Resources Development Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-mepyramine from histamine H1 receptor in guinea pig cerebellum homogenates incubated for 60 mins by Cheng and Prusoff equation a...


Bioorg Med Chem Lett 29: 1492-1496 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.015
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50509922
PNG
(CHEMBL4575319)
Show SMILES [H][C@@]12CCC[C@]1([H])CN(CCCOc1ccc(cc1)C(N)=O)C2 |r|
Show InChI InChI=1S/C17H24N2O2/c18-17(20)13-5-7-16(8-6-13)21-10-2-9-19-11-14-3-1-4-15(14)12-19/h5-8,14-15H,1-4,9-12H2,(H2,18,20)/t14-,15+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
426n/an/an/an/an/an/an/an/a



Jiangsu Marine Resources Development Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from histamine H3 receptor in rat cerebral cortex homogenates incubated for 60 mins by Cheng and Prusoff...


Bioorg Med Chem Lett 29: 1492-1496 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.015
More data for this
Ligand-Target Pair