BindingDB logo
myBDB logout

BDBM50061017 CHEMBL3393547

SMILES: CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1

InChI Key: InChIKey=NZJVXVCSPDDULP-WCFLAILDSA-N

Data: 1 KI  1 EC50

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 = 50061017   
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 receptor (H4)


(Homo sapiens (human))
BDBM50061017
PNG
(CHEMBL3393547)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1
Show InChI InChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.16E+3n/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated repor...


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50061017
PNG
(CHEMBL3393547)
Show SMILES CN[C@@H]1CCN(C1)c1ccnc(NC2CC3CCC2C3)n1
Show InChI InChI=1S/C16H25N5/c1-17-13-5-7-21(10-13)15-4-6-18-16(20-15)19-14-9-11-2-3-12(14)8-11/h4,6,11-14,17H,2-3,5,7-10H2,1H3,(H,18,19,20)/t11?,12?,13-,14?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human recombinant histamine H4 receptor


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair