BindingDB logo
myBDB logout

BDBM50510725 CHEMBL4560144

SMILES: Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=GBQRNDSLOGBCSM-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 = 50510725   
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))
BDBM50510725
PNG
(CHEMBL4560144)
Show SMILES Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C23H27Cl2N5/c24-20-5-4-6-21(25)19(20)15-30-14-9-18-22(26-16-27-23(18)30)29-12-7-17(8-13-29)28-10-2-1-3-11-28/h4-6,9,14,16-17H,1-3,7-8,10-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK-293 cells incubated for 90 mins by radioligand displace...


Bioorg Med Chem 27: 3194-3200 (2019)


Article DOI: 10.1016/j.bmc.2019.05.042
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50510725
PNG
(CHEMBL4560144)
Show SMILES Clc1cccc(Cl)c1Cn1ccc2c(ncnc12)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C23H27Cl2N5/c24-20-5-4-6-21(25)19(20)15-30-14-9-18-22(26-16-27-23(18)30)29-12-7-17(8-13-29)28-10-2-1-3-11-28/h4-6,9,14,16-17H,1-3,7-8,10-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Heinrich Heine University D£sseldorf

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cell membranes by radioligand displacement assay


Bioorg Med Chem 27: 3194-3200 (2019)


Article DOI: 10.1016/j.bmc.2019.05.042
More data for this
Ligand-Target Pair