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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50518052'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50518052
PNG
(CHEMBL551790)
Show SMILES Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1
Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2OS cells increase in beta-arrestin2 recruitment after 2 hrs by lumine...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50518052
PNG
(CHEMBL551790)
Show SMILES Clc1cccc(CNC(=N)SCCCc2c[nH]cn2)c1
Show InChI InChI=1S/C14H17ClN4S/c15-12-4-1-3-11(7-12)8-18-14(16)20-6-2-5-13-9-17-10-19-13/h1,3-4,7,9-10H,2,5-6,8H2,(H2,16,18)(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Agonist activity at histamine H4 receptor (unknown origin) expressed in HEK293T cells harboring CRE-luciferase after 6 hrs by luciferase reporter gen...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair