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BDBM50405697 CHEMBL4164140

SMILES: COc1ccc(cc1)-c1cc2cc(cc(C)c2oc1=O)C1Nc2ccccc2C(=O)N1C

InChI Key: InChIKey=OSDZSTWOPXXNAO-WXHSDQCUSA-N

Data: 4 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 4 hits for monomerid = 50405697   
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))
BDBM50405697
PNG
(CHEMBL4164140)
Show SMILES COc1ccc(cc1)-c1cc2cc(cc(C)c2oc1=O)C1Nc2ccccc2C(=O)N1C
Show InChI InChI=1S/C15H25NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h10-13,20H,2-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
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Article
PubMed
n/an/an/an/a 11n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated c...


Eur J Med Chem 152: 208-222 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.037
BindingDB Entry DOI: 10.7270/Q2B27XT0
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50405697
PNG
(CHEMBL4164140)
Show SMILES COc1ccc(cc1)-c1cc2cc(cc(C)c2oc1=O)C1Nc2ccccc2C(=O)N1C
Show InChI InChI=1S/C15H25NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h10-13,20H,2-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
Reactome pathway
KEGG

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UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
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PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.70E+3n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in HTLA cells assessed as increase in beta-arrestin2 recruitment after overnight incubation by Tango assa...


Eur J Med Chem 152: 208-222 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.037
BindingDB Entry DOI: 10.7270/Q2B27XT0
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50405697
PNG
(CHEMBL4164140)
Show SMILES COc1ccc(cc1)-c1cc2cc(cc(C)c2oc1=O)C1Nc2ccccc2C(=O)N1C
Show InChI InChI=1S/C15H25NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h10-13,20H,2-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.69E+3n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in HTLA cells assessed as increase in beta-arrestin2 recruitment after overnight incubation by Tango assa...


Eur J Med Chem 152: 208-222 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.037
BindingDB Entry DOI: 10.7270/Q2B27XT0
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50405697
PNG
(CHEMBL4164140)
Show SMILES COc1ccc(cc1)-c1cc2cc(cc(C)c2oc1=O)C1Nc2ccccc2C(=O)N1C
Show InChI InChI=1S/C15H25NO3S/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)11-5-3-2-4-6-11/h10-13,20H,2-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109a expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated c...


Eur J Med Chem 152: 208-222 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.037
BindingDB Entry DOI: 10.7270/Q2B27XT0
More data for this
Ligand-Target Pair