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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Taste receptor type 2 member 31' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Taste receptor type 2 member 31


(Homo sapiens)
BDBM50384791
PNG
(CHEMBL490162)
Show SMILES COc1cc(ccc1OC(=O)C(C)C)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C20H20O7/c1-10(2)20(24)27-15-5-4-11(6-17(15)25-3)16-9-14(23)19-13(22)7-12(21)8-18(19)26-16/h4-8,10,16,21-22H,9H2,1-3H3/t16-/m0/s1
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing chimeric G-protein alpha-subunit


J Nat Prod 74: 1539-55 (2011)

More data for this
Ligand-Target Pair
Taste receptor type 2 member 31


(Homo sapiens)
BDBM50384790
PNG
(CHEMBL210692)
Show SMILES COc1cc2O[C@@H](CC(=O)c2c(O)c1OC)c1ccc(O)cc1
Show InChI InChI=1S/C17H16O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-6,8,12,18,20H,7H2,1-2H3/t12-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing chimeric G-protein alpha-subunit


J Nat Prod 74: 1539-55 (2011)

More data for this
Ligand-Target Pair
Taste receptor type 2 member 31


(Homo sapiens)
BDBM50312648
PNG
((2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-d...)
Show SMILES COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1
Show InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
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PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing chimeric G-protein alpha-subunit


J Nat Prod 74: 1539-55 (2011)

More data for this
Ligand-Target Pair
Taste receptor type 2 member 31


(Homo sapiens)
BDBM50049429
PNG
(CHEMBL3315351)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC\C(C)=C\C(O)=O)C(=C)CC[C@H]2C1(C)C
Show InChI InChI=1/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/s2
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human TAS2R31 expressed in HEK-293T cells stably expressing Galpha16gust44 assessed as inhibition receptor response to sacchar...


J Nat Prod 77: 1739-43 (2014)

More data for this
Ligand-Target Pair
Taste receptor type 2 member 31


(Homo sapiens)
BDBM84984
PNG
(Jaceosidin)
Show SMILES COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of human TAS2R31 receptor expressed in HEK293T cells overexpressing chimeric G-protein alpha-subunit


J Nat Prod 74: 1539-55 (2011)

More data for this
Ligand-Target Pair
Taste receptor type 2 member 31


(Homo sapiens)
BDBM50049428
PNG
(CHEMBL3315352)
Show SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC\C(C)=C\C(O)=O)C(C)=CC[C@H]2C1(C)C
Show InChI InChI=1/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h8,13,17-19H,7,9-12H2,1-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/s2
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n/an/a>2.50E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human TAS2R31 expressed in HEK-293T cells stably expressing Galpha16gust44 assessed as inhibition receptor response to sacchar...


J Nat Prod 77: 1739-43 (2014)

More data for this
Ligand-Target Pair