BindingDB logo
myBDB logout

BDBM50412511 CHEMBL454883::VUF-10502

SMILES: CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(Cl)cc(C)c2n1

InChI Key: InChIKey=YUZRGISUAJJLAM-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 = 50412511   
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))
BDBM50412511
PNG
(CHEMBL454883 | VUF-10502)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(Cl)cc(C)c2n1
Show InChI InChI=1S/C19H22ClN5O/c1-13-10-14(20)11-16-17(13)22-19(25-7-5-24(2)6-8-25)23-18(16)21-12-15-4-3-9-26-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,22,23)
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))
BDBM50412511
PNG
(CHEMBL454883 | VUF-10502)
Show SMILES CN1CCN(CC1)c1nc(NCc2ccco2)c2cc(Cl)cc(C)c2n1
Show InChI InChI=1S/C19H22ClN5O/c1-13-10-14(20)11-16-17(13)22-19(25-7-5-24(2)6-8-25)23-18(16)21-12-15-4-3-9-26-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,22,23)
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