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BDBM50412459 CHEMBL212775

SMILES: CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1

InChI Key: InChIKey=QDVWETVNLSAZBK-UHFFFAOYSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50412459   
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 H3 receptor


(Homo sapiens (Human))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
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PubMed
37n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
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PubMed
37.1n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
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214n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
Reactome pathway
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Article
PubMed
214n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in rat brain membranes


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
Reactome pathway
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Article
PubMed
6.46E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H4 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50412459
PNG
(CHEMBL212775)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(CN(C)C2CCCCC2)cc1)C1CCCCC1
Show InChI InChI=1S/C28H40N2/c1-29(27-9-5-3-6-10-27)21-23-13-17-25(18-14-23)26-19-15-24(16-20-26)22-30(2)28-11-7-4-8-12-28/h13-20,27-28H,3-12,21-22H2,1-2H3
PDB
MMDB

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B.MOAD
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Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase in Wistar rat brain homogenate by Ellman's method


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair