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BDBM50412452 CHEMBL212869

SMILES: CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1

InChI Key: InChIKey=LJPGMCFDZQFOND-UHFFFAOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50412452   
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))
BDBM50412452
PNG
(CHEMBL212869)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
Show InChI InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
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PC sid
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Article
PubMed
398n/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))
BDBM50412452
PNG
(CHEMBL212869)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
Show InChI InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
398n/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))
BDBM50412452
PNG
(CHEMBL212869)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
Show InChI InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
Reactome pathway
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UniProtKB/SwissProt

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PC sid
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Article
PubMed
676n/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 H3 receptor


(Rattus norvegicus (rat))
BDBM50412452
PNG
(CHEMBL212869)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
Show InChI InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
676n/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 H4 receptor


(Homo sapiens (Human))
BDBM50412452
PNG
(CHEMBL212869)
Show SMILES CC1CC(C)CN(Cc2ccc(cc2)-c2ccc(CN3CC(C)CC(C)C3)cc2)C1
Show InChI InChI=1S/C28H40N2/c1-21-13-22(2)16-29(15-21)19-25-5-9-27(10-6-25)28-11-7-26(8-12-28)20-30-17-23(3)14-24(4)18-30/h5-12,21-24H,13-20H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.38E+4n/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