BindingDB logo
myBDB logout

BDBM50391829 CHEMBL2146993

SMILES: Oc1cc(O)cc(c1)-c1nnn[nH]1

InChI Key: InChIKey=STZIPIVZRWVCLX-UHFFFAOYSA-N

Data: 2 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 = 50391829   
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))
BDBM50391829
PNG
(CHEMBL2146993)
Show SMILES Oc1cc(O)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C7H6N4O2/c12-5-1-4(2-6(13)3-5)7-8-10-11-9-7/h1-3,12-13H,(H,8,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR109a transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)


Article DOI: 10.1021/ml3000676
BindingDB Entry DOI: 10.7270/Q27945RB
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391829
PNG
(CHEMBL2146993)
Show SMILES Oc1cc(O)cc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C7H6N4O2/c12-5-1-4(2-6(13)3-5)7-8-10-11-9-7/h1-3,12-13H,(H,8,9,10,11)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)


Article DOI: 10.1021/ml3000676
BindingDB Entry DOI: 10.7270/Q27945RB
More data for this
Ligand-Target Pair