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PubMed code 26945112

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50152692
PNG
(CHEMBL3781145)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C22H21NO4S/c1-13-4-3-5-15(8-13)22-23-14(2)20(28-22)12-26-17-6-7-18-16(9-21(24)25)11-27-19(18)10-17/h3-8,10,16H,9,11-12H2,1-2H3,(H,24,25)
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PubMed
n/an/an/an/a 119n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152693
PNG
(CHEMBL3780334)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C22H21NO4S/c1-13-3-5-15(6-4-13)22-23-14(2)20(28-22)12-26-17-7-8-18-16(9-21(24)25)11-27-19(18)10-17/h3-8,10,16H,9,11-12H2,1-2H3,(H,24,25)
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PubMed
n/an/an/an/a 74n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152694
PNG
(CHEMBL3780713)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H18ClNO4S/c1-12-19(28-21(23-12)13-3-2-4-15(22)7-13)11-26-16-5-6-17-14(8-20(24)25)10-27-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,24,25)
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n/an/an/an/a 138n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152696
PNG
(CHEMBL3780456)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C21H18FNO4S/c1-12-19(28-21(23-12)13-3-2-4-15(22)7-13)11-26-16-5-6-17-14(8-20(24)25)10-27-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,24,25)
PDB

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antibodypedia
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n/an/an/an/a 65n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152695
PNG
(CHEMBL3781162)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClNO4S/c1-12-19(28-21(23-12)13-2-4-15(22)5-3-13)11-26-16-6-7-17-14(8-20(24)25)10-27-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,24,25)
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PubMed
n/an/an/an/a 86n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152697
PNG
(CHEMBL3781477)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H18FNO4S/c1-12-19(28-21(23-12)13-2-4-15(22)5-3-13)11-26-16-6-7-17-14(8-20(24)25)10-27-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,24,25)
PDB

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antibodypedia
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PubMed
n/an/an/an/a 49n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152729
PNG
(CHEMBL3780211)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H18F3NO4S/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)11-29-16-6-7-17-14(8-20(27)28)10-30-18(17)9-16/h2-7,9,14H,8,10-11H2,1H3,(H,27,28)
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Article
PubMed
n/an/an/an/a 97n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152731
PNG
(CHEMBL3781779)
Show SMILES COc1ccc(cc1)-c1nc(C)c(COc2ccc3C(CC(O)=O)COc3c2)s1
Show InChI InChI=1S/C22H21NO5S/c1-13-20(29-22(23-13)14-3-5-16(26-2)6-4-14)12-27-17-7-8-18-15(9-21(24)25)11-28-19(18)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,24,25)
PDB

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antibodypedia
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CHEMBL
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PC sid
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Article
PubMed
n/an/an/an/a 123n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50152691
PNG
(CHEMBL3780232)
Show SMILES Cc1nc(sc1COc1ccc2C(CC(O)=O)COc2c1)-c1ccsc1
Show InChI InChI=1S/C19H17NO4S2/c1-11-17(26-19(20-11)12-4-5-25-10-12)9-23-14-2-3-15-13(6-18(21)22)8-24-16(15)7-14/h2-5,7,10,13H,6,8-9H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 69n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Agonist activity at human FFA1 receptor expressed in CHO cells assessed as Ca2+ influx by FLIPR assay


Eur J Med Chem 113: 246-57 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.040
BindingDB Entry DOI: 10.7270/Q2FN1837
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%