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BDBM50319094 2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-methylcyclohex-1-enecarboxylic acid::CHEMBL1083174

SMILES: CC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O

InChI Key: InChIKey=NZBHIMJNVRNYER-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 = 50319094   
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))
BDBM50319094
PNG
(2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-meth...)
Show SMILES CC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:22|
Show InChI InChI=1S/C21H23NO4/c1-13-2-8-19(18(10-13)21(25)26)22-20(24)9-4-14-3-5-16-12-17(23)7-6-15(16)11-14/h3,5-7,11-13,23H,2,4,8-10H2,1H3,(H,22,24)(H,25,26)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 430n/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))
BDBM50319094
PNG
(2-(3-(6-hydroxynaphthalen-2-yl)propanamido)-5-meth...)
Show SMILES CC1CCC(NC(=O)CCc2ccc3cc(O)ccc3c2)=C(C1)C(O)=O |c:22|
Show InChI InChI=1S/C21H23NO4/c1-13-2-8-19(18(10-13)21(25)26)22-20(24)9-4-14-3-5-16-12-17(23)7-6-15(16)11-14/h3,5-7,11-13,23H,2,4,8-10H2,1H3,(H,22,24)(H,25,26)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/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