BindingDB logo
myBDB logout

BDBM50365053 CHEMBL1951062

SMILES: C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1C[C@H](C)O[C@H](C)C1

InChI Key: InChIKey=DZJJAQHTKRVCIB-QRVBRYPASA-N

Data: 2 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 2 hits for monomerid = 50365053   
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))
BDBM50365053
PNG
(CHEMBL1951062)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C22H34N2O3/c1-17-6-4-11-24(17)12-5-13-26-21-9-7-20(8-10-21)22(25)16-23-14-18(2)27-19(3)15-23/h7-10,17-19H,4-6,11-16H2,1-3H3/t17-,18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50365053
PNG
(CHEMBL1951062)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C22H34N2O3/c1-17-6-4-11-24(17)12-5-13-26-21-9-7-20(8-10-21)22(25)16-23-14-18(2)27-19(3)15-23/h7-10,17-19H,4-6,11-16H2,1-3H3/t17-,18-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
78n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair