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BDBM50319104 5-(6-fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen-2-yl)propanamido)cyclohex-1-enecarboxylic acid::CHEMBL1083450

SMILES: OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1ccc2cc(O)ccc2c1

InChI Key: InChIKey=HASLRSOJAVCZLP-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 = 50319104   
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))
BDBM50319104
PNG
(5-(6-fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen...)
Show SMILES OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C25H23FN2O4/c26-23-9-6-19(14-27-23)18-5-8-22(21(13-18)25(31)32)28-24(30)10-2-15-1-3-17-12-20(29)7-4-16(17)11-15/h1,3-4,6-7,9,11-12,14,18,29H,2,5,8,10,13H2,(H,28,30)(H,31,32)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 64n/an/an/an/a



Merck& Co.

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50319104
PNG
(5-(6-fluoropyridin-3-yl)-2-(3-(6-hydroxynaphthalen...)
Show SMILES OC(=O)C1=C(CCC(C1)c1ccc(F)nc1)NC(=O)CCc1ccc2cc(O)ccc2c1 |t:3|
Show InChI InChI=1S/C25H23FN2O4/c26-23-9-6-19(14-27-23)18-5-8-22(21(13-18)25(31)32)28-24(30)10-2-15-1-3-17-12-20(29)7-4-16(17)11-15/h1,3-4,6-7,9,11-12,14,18,29H,2,5,8,10,13H2,(H,28,30)(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [3H]niacin from human niacin receptor expressed in CHO-KI cells


Bioorg Med Chem Lett 20: 3426-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.001
BindingDB Entry DOI: 10.7270/Q2W0963X
More data for this
Ligand-Target Pair