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BDBM50510720 CHEMBL4476179

SMILES: Fc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1

InChI Key: InChIKey=QIHGFSRFUIRMKU-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 = 50510720   
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))
BDBM50510720
PNG
(CHEMBL4476179)
Show SMILES Fc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H27ClFN5/c24-23-26-21(29-13-8-19(9-14-29)28-11-2-1-3-12-28)20-10-15-30(22(20)27-23)16-17-4-6-18(25)7-5-17/h4-7,10,15,19H,1-3,8-9,11-14,16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
30n/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))
BDBM50510720
PNG
(CHEMBL4476179)
Show SMILES Fc1ccc(Cn2ccc3c(nc(Cl)nc23)N2CCC(CC2)N2CCCCC2)cc1
Show InChI InChI=1S/C23H27ClFN5/c24-23-26-21(29-13-8-19(9-14-29)28-11-2-1-3-12-28)20-10-15-30(22(20)27-23)16-17-4-6-18(25)7-5-17/h4-7,10,15,19H,1-3,8-9,11-14,16H2
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