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BDBM50298001 (+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid::5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrobromide::5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid, hydrochloride::CHEMBL1237147::CHEMBL539398

SMILES: OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F

InChI Key: InChIKey=JQOSYJBFVAFNNY-UHFFFAOYSA-N

Data: 4 IC50  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 6 hits for monomerid = 50298001   
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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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Article
PubMed
n/an/a 600n/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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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Article
PubMed
n/an/a 850n/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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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Article
PubMed
n/an/an/an/a 2.30E+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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
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Article
PubMed
n/an/a 200n/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))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
Reactome pathway
KEGG

UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 370n/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
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50298001
PNG
((+/-)-5-(2-fluoropyridin-3-yl)-4,5,6,7-tetrahydro-...)
Show SMILES OC(=O)c1n[nH]c2CCC(Cc12)c1cccnc1F
Show InChI InChI=1S/C13H12FN3O2/c14-12-8(2-1-5-15-12)7-3-4-10-9(6-7)11(13(18)19)17-16-10/h1-2,5,7H,3-4,6H2,(H,16,17)(H,18,19)
Reactome pathway
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Article
PubMed
n/an/an/an/a 4.50E+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