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BDBM50510724 CHEMBL4560119

SMILES: Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1

InChI Key: InChIKey=BFHSUTRNNIQMRZ-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50510724   
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))
BDBM50510724
PNG
(CHEMBL4560119)
Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1
Show InChI InChI=1S/C23H26Cl3N5/c24-19-5-4-6-20(25)18(19)15-31-14-9-17-21(27-23(26)28-22(17)31)30-12-7-16(8-13-30)29-10-2-1-3-11-29/h4-6,9,14,16H,1-3,7-8,10-13,15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
54n/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))
BDBM50510724
PNG
(CHEMBL4560119)
Show SMILES Clc1nc(N2CCC(CC2)N2CCCCC2)c2ccn(Cc3c(Cl)cccc3Cl)c2n1
Show InChI InChI=1S/C23H26Cl3N5/c24-19-5-4-6-20(25)18(19)15-31-14-9-17-21(27-23(26)28-22(17)31)30-12-7-16(8-13-30)29-10-2-1-3-11-29/h4-6,9,14,16H,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