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BDBM50315317 8-chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)benzofuro[3,2-d]pyrimidine::CHEMBL1092332

SMILES: CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21

InChI Key: InChIKey=ZOXUBQNZEHLDQM-QWRGUYRKSA-N

Data: 2 IC50

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 = 50315317   
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))
BDBM50315317
PNG
(8-chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2....)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C16H15ClN4O/c1-20-6-11-5-10(20)7-21(11)16-15-14(18-8-19-16)12-4-9(17)2-3-13(12)22-15/h2-4,8,10-11H,5-7H2,1H3/t10-,11-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H4 receptor assessed as inhibition of [35S]GTPgammaS binding after 15 mins by scintillation proximity ass...


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50315317
PNG
(8-chloro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2....)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ncnc2c1oc1ccc(Cl)cc21 |r|
Show InChI InChI=1S/C16H15ClN4O/c1-20-6-11-5-10(20)7-21(11)16-15-14(18-8-19-16)12-4-9(17)2-3-13(12)22-15/h2-4,8,10-11H,5-7H2,1H3/t10-,11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine dihydrochloride from human histamine H4 receptor after 2.5 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 2516-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.097
BindingDB Entry DOI: 10.7270/Q2CN74V3
More data for this
Ligand-Target Pair