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BDBM50298000 (+/-)-5-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid::CHEMBL558463

SMILES: OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)cc(F)c1F

InChI Key: InChIKey=DKRWTSSIUWFPPD-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50298000   
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))
BDBM50298000
PNG
((+/-)-5-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C14H11F3N2O2/c15-7-4-8(12(17)10(16)5-7)6-1-2-11-9(3-6)13(14(20)21)19-18-11/h4-6H,1-3H2,(H,18,19)(H,20,21)
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Similars

Article
PubMed
n/an/an/an/a 1.10E+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))
BDBM50298000
PNG
((+/-)-5-(2,3,5-trifluorophenyl)-4,5,6,7-tetrahydro...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cc(F)cc(F)c1F
Show InChI InChI=1S/C14H11F3N2O2/c15-7-4-8(12(17)10(16)5-7)6-1-2-11-9(3-6)13(14(20)21)19-18-11/h4-6H,1-3H2,(H,18,19)(H,20,21)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 67n/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