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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H4 receptor' and Ligand = 'BDBM50361035'   
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))
BDBM50361035
PNG
(CHEMBL1935571)
Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
Show InChI InChI=1S/C17H19N5O/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361035
PNG
(CHEMBL1935571)
Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
Show InChI InChI=1S/C17H19N5O/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

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



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361035
PNG
(CHEMBL1935571)
Show SMILES CN1CCN(CC1)c1nc(N)nc2cc(ccc12)-c1ccoc1
Show InChI InChI=1S/C17H19N5O/c1-21-5-7-22(8-6-21)16-14-3-2-12(13-4-9-23-11-13)10-15(14)19-17(18)20-16/h2-4,9-11H,5-8H2,1H3,(H2,18,19,20)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Antagonist activity at human H4 receptor expressed in HEK293T cells assessed as inhibition of histamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair