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BDBM50412517 CHEMBL452870::VUF-10511

SMILES: CN1CCN(CC1)c1nc(NCc2nc(C)no2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=SYICWFONNQDEQH-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 = 50412517   
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 H4 receptor


(Homo sapiens (Human))
BDBM50412517
PNG
(CHEMBL452870 | VUF-10511)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc(C)no2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C17H20ClN7O/c1-11-20-15(26-23-11)10-19-16-13-9-12(18)3-4-14(13)21-17(22-16)25-7-5-24(2)6-8-25/h3-4,9H,5-8,10H2,1-2H3,(H,19,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
372n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


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


J Med Chem 51: 7855-65 (2008)


Article DOI: 10.1021/jm800876b
BindingDB Entry DOI: 10.7270/Q29Z964R
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50412517
PNG
(CHEMBL452870 | VUF-10511)
Show SMILES CN1CCN(CC1)c1nc(NCc2nc(C)no2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C17H20ClN7O/c1-11-20-15(26-23-11)10-19-16-13-9-12(18)3-4-14(13)21-17(22-16)25-7-5-24(2)6-8-25/h3-4,9H,5-8,10H2,1-2H3,(H,19,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
372n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells


J Med Chem 53: 2390-400 (2010)


Article DOI: 10.1021/jm901379s
BindingDB Entry DOI: 10.7270/Q2G44RJ4
More data for this
Ligand-Target Pair