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BDBM50412506 CHEMBL523941::VUF-10556

SMILES: CN1CCN(CC1)c1nc(NCc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=SMKOZZWIBRGRQG-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 = 50412506   
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))
BDBM50412506
PNG
(CHEMBL523941 | VUF-10556)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H20ClF2N5/c1-27-6-8-28(9-7-27)20-25-18-5-3-14(21)11-15(18)19(26-20)24-12-13-2-4-16(22)17(23)10-13/h2-5,10-11H,6-9,12H2,1H3,(H,24,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
186n/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))
BDBM50412506
PNG
(CHEMBL523941 | VUF-10556)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccc(F)c(F)c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C20H20ClF2N5/c1-27-6-8-28(9-7-27)20-25-18-5-3-14(21)11-15(18)19(26-20)24-12-13-2-4-16(22)17(23)10-13/h2-5,10-11H,6-9,12H2,1H3,(H,24,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
186n/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