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BDBM50386349 CHEMBL2048591

SMILES: OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1

InChI Key: InChIKey=GJPYKVNDRRCAEC-UHFFFAOYSA-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 = 50386349   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50386349
PNG
(CHEMBL2048591)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386349
PNG
(CHEMBL2048591)
Show SMILES OC1(CCCN(C1)c1nnc(s1)N1CCC(CC1)N1CCCCC1)c1ccccn1
Show InChI InChI=1S/C22H32N6OS/c29-22(19-7-2-3-11-23-19)10-6-14-28(17-22)21-25-24-20(30-21)27-15-8-18(9-16-27)26-12-4-1-5-13-26/h2-3,7,11,18,29H,1,4-6,8-10,12-17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair