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BDBM50171865 CHEMBL3805888

SMILES: OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1

InChI Key: InChIKey=INGBGXUKWXLGIA-UHFFFAOYSA-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 = 50171865   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50171865
PNG
(CHEMBL3805888)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-3-1-2-4-15(14)21-18(26)19-23-22-16(28-19)11-27-13-8-5-12(6-9-13)7-10-17(24)25/h1-6,8-9H,7,10-11H2,(H,21,26)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 580n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 3


(Homo sapiens (Human))
BDBM50171865
PNG
(CHEMBL3805888)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-3-1-2-4-15(14)21-18(26)19-23-22-16(28-19)11-27-13-8-5-12(6-9-13)7-10-17(24)25/h1-6,8-9H,7,10-11H2,(H,21,26)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR41 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 2


(Homo sapiens (Human))
BDBM50171865
PNG
(CHEMBL3805888)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-3-1-2-4-15(14)21-18(26)19-23-22-16(28-19)11-27-13-8-5-12(6-9-13)7-10-17(24)25/h1-6,8-9H,7,10-11H2,(H,21,26)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR43 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair
Free fatty acid receptor 4


(Homo sapiens (Human))
BDBM50171865
PNG
(CHEMBL3805888)
Show SMILES OC(=O)CCc1ccc(OCc2nnc(s2)C(=O)Nc2ccccc2F)cc1
Show InChI InChI=1S/C19H16FN3O4S/c20-14-3-1-2-4-15(14)21-18(26)19-23-22-16(28-19)11-27-13-8-5-12(6-9-13)7-10-17(24)25/h1-6,8-9H,7,10-11H2,(H,21,26)(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Agonist activity at human GPR120 (unknown origin) expressed in CHO cells by calcium influx assay


Bioorg Med Chem 24: 2954-2963 (2016)


Article DOI: 10.1016/j.bmc.2016.04.065
BindingDB Entry DOI: 10.7270/Q2SB47PK
More data for this
Ligand-Target Pair