BindingDB logo
myBDB logout

null

SMILES: Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1

InChI Key:

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 5 hits for monomerid = 50580516   
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 H3 receptor


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H] N-alpha methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells measured after 90 mins


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50580516
PNG
(CHEMBL5094415)
Show SMILES Nc1nc-2c(Cc3cc(OCCCN4CCCCC4)ccc-23)c(n1)-c1ccccc1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells by liquid scintillation counting analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00914
BindingDB Entry DOI: 10.7270/Q22F7S8G
More data for this
Ligand-Target Pair