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SMILES: OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccc(O)cc1F

InChI Key: InChIKey=RSIXRSXTZVORGJ-XBXARRHUSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50268976   
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))
BDBM50268976
PNG
(CHEMBL4093990)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccc(O)cc1F |t:3|
Show InChI InChI=1S/C18H16FNO4/c19-15-11-13(21)10-9-12(15)5-1-4-8-17(22)20-16-7-3-2-6-14(16)18(23)24/h4,8-11,21H,2-3,6-7H2,(H,20,22)(H,23,24)/b8-4+
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 110n/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human HCA2 receptor expressed in Flp-IN HEK cells assessed as reduction in forskolin-stimulated cAMP accumulation mea...


Bioorg Med Chem 25: 4314-4329 (2017)


Article DOI: 10.1016/j.bmc.2017.06.028
BindingDB Entry DOI: 10.7270/Q2D22140
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50268976
PNG
(CHEMBL4093990)
Show SMILES OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccc(O)cc1F |t:3|
Show InChI InChI=1S/C18H16FNO4/c19-15-11-13(21)10-9-12(15)5-1-4-8-17(22)20-16-7-3-2-6-14(16)18(23)24/h4,8-11,21H,2-3,6-7H2,(H,20,22)(H,23,24)/b8-4+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 331n/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [5,6-3H]-nicotinic acid from recombinant human HCA2 receptor expressed in Flp-IN HEK cell membranes after 2 hrs by microbeta counting...


Bioorg Med Chem 25: 4314-4329 (2017)


Article DOI: 10.1016/j.bmc.2017.06.028
BindingDB Entry DOI: 10.7270/Q2D22140
More data for this
Ligand-Target Pair