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BDBM50412515 CHEMBL452869::VUF-10516

SMILES: CN1CCN(CC1)c1nc(NCc2cc(C)cs2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=LSJKYSGIAAZQHT-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 = 50412515   
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))
BDBM50412515
PNG
(CHEMBL452869 | VUF-10516)
Show SMILES CN1CCN(CC1)c1nc(NCc2cc(C)cs2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN5S/c1-13-9-15(26-12-13)11-21-18-16-10-14(20)3-4-17(16)22-19(23-18)25-7-5-24(2)6-8-25/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38.9n/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))
BDBM50412515
PNG
(CHEMBL452869 | VUF-10516)
Show SMILES CN1CCN(CC1)c1nc(NCc2cc(C)cs2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C19H22ClN5S/c1-13-9-15(26-12-13)11-21-18-16-10-14(20)3-4-17(16)22-19(23-18)25-7-5-24(2)6-8-25/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,21,22,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
38.9n/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