BindingDB logo
myBDB logout

null

SMILES: O=c1ccoc2ccc(cc12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=PNZDIUZVTSJTRC-UHFFFAOYSA-N

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 = 50383456   
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


(Mus musculus)
BDBM50383456
PNG
(CHEMBL2031616)
Show SMILES O=c1ccoc2ccc(cc12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C21H24N4O2S/c26-18-8-13-27-19-5-4-15(14-17(18)19)20-22-23-21(28-20)25-11-6-16(7-12-25)24-9-2-1-3-10-24/h4-5,8,13-14,16H,1-3,6-7,9-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50383456
PNG
(CHEMBL2031616)
Show SMILES O=c1ccoc2ccc(cc12)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C21H24N4O2S/c26-18-8-13-27-19-5-4-15(14-17(18)19)20-22-23-21(28-20)25-11-6-16(7-12-25)24-9-2-1-3-10-24/h4-5,8,13-14,16H,1-3,6-7,9-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK cell membranes after 30 mins by scintillati...


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair