BindingDB logo
myBDB logout

BDBM50378119 CHEMBL1204125

SMILES: Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1

InChI Key: InChIKey=DIAMRJUNTCSENA-UHFFFAOYSA-N

Data: 2 IC50  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 3 hits for monomerid = 50378119   
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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50378119
PNG
(CHEMBL1204125)
Show SMILES Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1 |c:11,16,20,22|
Show InChI InChI=1S/C13H10FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in absence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50378119
PNG
(CHEMBL1204125)
Show SMILES Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1 |c:11,16,20,22|
Show InChI InChI=1S/C13H10FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 5.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human niacin receptor expressed in CKO-K1 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50378119
PNG
(CHEMBL1204125)
Show SMILES Fc1ncccc1C1CCC2=C(C1)C(N=N2)=C1N=NN=N1 |c:11,16,20,22|
Show InChI InChI=1S/C13H10FN7/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(17-16-10)13-18-20-21-19-13/h1-2,5,7H,3-4,6H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CKO-K1 cells in presence of 5% human serum


Bioorg Med Chem Lett 19: 4768-72 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.054
BindingDB Entry DOI: 10.7270/Q2M909M3
More data for this
Ligand-Target Pair