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BDBM50354213 CHEMBL1836040

SMILES: CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12

InChI Key: InChIKey=CBXDCFAKWOJLIL-HSZRJFAPSA-N

Data: 1 KI  1 IC50

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   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 = 50354213   
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))
BDBM50354213
PNG
(CHEMBL1836040)
Show SMILES CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
Show InChI InChI=1S/C26H32N4O/c1-19-27-24-10-6-7-11-25(24)30(19)22-14-12-20(13-15-22)26(31)28(2)23-16-17-29(18-23)21-8-4-3-5-9-21/h6-7,10-15,21,23H,3-5,8-9,16-18H2,1-2H3/t23-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells


Bioorg Med Chem Lett 21: 5957-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.061
BindingDB Entry DOI: 10.7270/Q2QN6753
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50354213
PNG
(CHEMBL1836040)
Show SMILES CN([C@@H]1CCN(C1)C1CCCCC1)C(=O)c1ccc(cc1)-n1c(C)nc2ccccc12 |r|
Show InChI InChI=1S/C26H32N4O/c1-19-27-24-10-6-7-11-25(24)30(19)22-14-12-20(13-15-22)26(31)28(2)23-16-17-29(18-23)21-8-4-3-5-9-21/h6-7,10-15,21,23H,3-5,8-9,16-18H2,1-2H3/t23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 5957-60 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.061
BindingDB Entry DOI: 10.7270/Q2QN6753
More data for this
Ligand-Target Pair