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Compile Data Set for Download or QSAR

Found 86 hits of ec50 data for polymerid = 49000646   
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 3


(Homo sapiens (Human))
BDBM50414494
PNG
(CHEMBL564300)
Show SMILES OC(=O)c1cc([nH]n1)N(Cc1ccsc1)Cc1ccsc1
Show InChI InChI=1S/C14H13N3O2S2/c18-14(19)12-5-13(16-15-12)17(6-10-1-3-20-8-10)7-11-2-4-21-9-11/h1-5,8-9H,6-7H2,(H,15,16)(H,18,19)
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n/an/an/an/a 3.20n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414492
PNG
(CHEMBL564914)
Show SMILES OC(=O)c1cc([nH]n1)N(Cc1ccsc1)Cc1ccccc1
Show InChI InChI=1S/C16H15N3O2S/c20-16(21)14-8-15(18-17-14)19(10-13-6-7-22-11-13)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,17,18)(H,20,21)
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n/an/an/an/a 14n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414513
PNG
(CHEMBL394468)
Show SMILES OC(=O)c1ccc(NCC=C)nc1
Show InChI InChI=1S/C9H10N2O2/c1-2-5-10-8-4-3-7(6-11-8)9(12)13/h2-4,6H,1,5H2,(H,10,11)(H,12,13)
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n/an/an/an/a 42n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384637
PNG
(CHEMBL2036951)
Show SMILES FC(F)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H10F2N2O4/c12-6(13)3-1-2-5-4-7(16)19-10-8(5)9(17)14-11(18)15-10/h4,6H,1-3H2,(H2,14,15,17,18)
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n/an/an/an/a 59n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384640
PNG
(CHEMBL2036954)
Show SMILES O=c1cc(CCC2CCC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(5-4-7-2-1-3-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 67n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384612
PNG
(CHEMBL2036958)
Show SMILES CC1(CCCc2cc(=O)oc3[nH]c(=O)[nH]c(=O)c23)CC1
Show InChI InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
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n/an/an/an/a 96n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384641
PNG
(CHEMBL2036955)
Show SMILES O=c1cc(CCCC2CC2)c2c([nH]c(=O)[nH]c2=O)o1
Show InChI InChI=1S/C13H14N2O4/c16-9-6-8(3-1-2-7-4-5-7)10-11(17)14-13(18)15-12(10)19-9/h6-7H,1-5H2,(H2,14,15,17,18)
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n/an/an/an/a 140n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414491
PNG
(CHEMBL559204)
Show SMILES OC(=O)c1cc([nH]n1)N(Cc1ccsc1)Cc1cccs1
Show InChI InChI=1S/C14H13N3O2S2/c18-14(19)12-6-13(16-15-12)17(7-10-3-5-20-9-10)8-11-2-1-4-21-11/h1-6,9H,7-8H2,(H,15,16)(H,18,19)
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n/an/an/an/a 141n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208135
PNG
((+)-5-methyl-5-(5-methyl-thiophen-3-yl)-4-oxo-4,5-...)
Show SMILES Cc1cc(cs1)C1(C)OC(=CC1=O)C(O)=O |c:10|
Show InChI InChI=1S/C11H10O4S/c1-6-3-7(5-16-6)11(2)9(12)4-8(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)
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n/an/an/an/a 180n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384616
PNG
(CHEMBL2036813)
Show SMILES CCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C11H12N2O4/c1-2-3-4-6-5-7(14)17-10-8(6)9(15)12-11(16)13-10/h5H,2-4H2,1H3,(H2,12,13,15,16)
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n/an/an/an/a 190n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475630
PNG
(CHEMBL382096)
Show SMILES COCC(C)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O3/c1-7(6-17-2)14-10-4-3-8(11(15)16)5-9(10)12-13-14/h3-5,7H,6H2,1-2H3,(H,15,16)
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n/an/an/an/a 200n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475626
PNG
(CHEMBL372727)
Show SMILES CC(C)(C)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O2/c1-11(2,3)14-9-5-4-7(10(15)16)6-8(9)12-13-14/h4-6H,1-3H3,(H,15,16)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475631
PNG
(CHEMBL202351)
Show SMILES CCOCCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O3/c1-2-17-6-5-14-10-4-3-8(11(15)16)7-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414495
PNG
(CHEMBL562675)
Show SMILES OC(=O)c1cc([nH]n1)N(Cc1cccs1)Cc1cccs1
Show InChI InChI=1S/C14H13N3O2S2/c18-14(19)12-7-13(16-15-12)17(8-10-3-1-5-20-10)9-11-4-2-6-21-11/h1-7H,8-9H2,(H,15,16)(H,18,19)
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n/an/an/an/a 257n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208140
PNG
(5-methyl-5-(5-methyl-thiophen-2-yl)-4-oxo-4,5-dihy...)
Show SMILES Cc1ccc(s1)C1(C)OC(=CC1=O)C(O)=O |c:10|
Show InChI InChI=1S/C11H10O4S/c1-6-3-4-9(16-6)11(2)8(12)5-7(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)
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n/an/an/an/a 270n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475629
PNG
(CHEMBL201048)
Show SMILES CCCCCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C12H15N3O2/c1-2-3-4-7-15-11-6-5-9(12(16)17)8-10(11)13-14-15/h5-6,8H,2-4,7H2,1H3,(H,16,17)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50337038
PNG
(5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyra...)
Show SMILES FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Show InChI InChI=1S/C14H14F2N2O3/c15-11(16)12-17-13(20)10-8(3-1-2-7-4-5-7)6-9(19)21-14(10)18-12/h6-7,11H,1-5H2,(H,17,18,20)
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n/an/an/an/a 300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475639
PNG
(CHEMBL201409)
Show SMILES CCSCCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O2S/c1-2-17-6-5-14-10-4-3-8(11(15)16)7-9(10)12-13-14/h3-4,7H,2,5-6H2,1H3,(H,15,16)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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n/an/an/an/a 316n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at HCA3 receptor (unknown origin) expressed in CHOK1 cells assessed as ERK1/2 phosphorylation by ELISA


Bioorg Med Chem 23: 4013-25 (2015)


Article DOI: 10.1016/j.bmc.2015.02.018
BindingDB Entry DOI: 10.7270/Q22N558B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475645
PNG
(CHEMBL202157)
Show SMILES COCCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C10H11N3O3/c1-16-5-4-13-9-3-2-7(10(14)15)6-8(9)11-12-13/h2-3,6H,4-5H2,1H3,(H,14,15)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475637
PNG
(CHEMBL202206)
Show SMILES CCC(C)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O2/c1-3-7(2)14-10-5-4-8(11(15)16)6-9(10)12-13-14/h4-7H,3H2,1-2H3,(H,15,16)
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n/an/an/an/a 331n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50241028
PNG
(1-Isopropyl-1H-benzotriazole-5-carboxylic acid | 1...)
Show SMILES CC(C)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
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TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475635
PNG
(CHEMBL202586)
Show SMILES CCCCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H13N3O2/c1-2-3-6-14-10-5-4-8(11(15)16)7-9(10)12-13-14/h4-5,7H,2-3,6H2,1H3,(H,15,16)
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n/an/an/an/a 692n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50220833
PNG
(5-(5-propyl-1H-pyrazol-3-yl)-1H-tetrazole | CHEMBL...)
Show SMILES CCCc1cc(n[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C7H10N6/c1-2-3-5-4-6(9-8-5)7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13)
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n/an/an/an/a 724n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50220833
PNG
(5-(5-propyl-1H-pyrazol-3-yl)-1H-tetrazole | CHEMBL...)
Show SMILES CCCc1cc(n[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C7H10N6/c1-2-3-5-4-6(9-8-5)7-10-12-13-11-7/h4H,2-3H2,1H3,(H,8,9)(H,10,11,12,13)
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n/an/an/an/a 724n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414499
PNG
(CHEMBL561920)
Show SMILES OC(=O)c1cc([nH]n1)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c22-18(23)16-11-17(20-19-16)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,19,20)(H,22,23)
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n/an/an/an/a 851n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475633
PNG
(CHEMBL440217)
Show SMILES CCn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C9H9N3O2/c1-2-12-8-4-3-6(9(13)14)5-7(8)10-11-12/h3-5H,2H2,1H3,(H,13,14)
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n/an/an/an/a 891n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475638
PNG
(CHEMBL201724)
Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CCCC1
Show InChI InChI=1S/C12H13N3O2/c16-12(17)8-5-6-11-10(7-8)13-14-15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,16,17)
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n/an/an/an/a 1.10E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50337024
PNG
(2-(difluoromethyl)-5-(3-(1-methylcyclopropyl)propy...)
Show SMILES CC1(CCCc2cc(=O)oc3nc([nH]c(=O)c23)C(F)F)CC1
Show InChI InChI=1S/C15H16F2N2O3/c1-15(5-6-15)4-2-3-8-7-9(20)22-14-10(8)13(21)18-12(19-14)11(16)17/h7,11H,2-6H2,1H3,(H,18,19,21)
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n/an/an/an/a 1.12E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 2: 171-176 (2011)


Article DOI: 10.1021/ml100251u
BindingDB Entry DOI: 10.7270/Q2DZ08KX
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50384634
PNG
(CHEMBL2036948)
Show SMILES CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C12H14N2O4/c1-6(2)3-4-7-5-8(15)18-11-9(7)10(16)13-12(17)14-11/h5-6H,3-4H2,1-2H3,(H2,13,14,16,17)
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n/an/an/an/a 1.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b


ACS Med Chem Lett 3: 63-68 (2012)


Article DOI: 10.1021/ml200243g
BindingDB Entry DOI: 10.7270/Q29K4C8X
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208137
PNG
((+)-5-(5-bromo-thiophen-3-yl)-5-methyl-4-oxo-4,5-d...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Br)c1 |c:3|
Show InChI InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.47E+3n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208137
PNG
((+)-5-(5-bromo-thiophen-3-yl)-5-methyl-4-oxo-4,5-d...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Br)c1 |c:3|
Show InChI InChI=1S/C10H7BrO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.50E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208122
PNG
((+)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Cl)c1 |c:3|
Show InChI InChI=1S/C10H7ClO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208122
PNG
((+)-5-(5-chloro-thiophen-3-yl)-5-methyl-4-oxo-4,5-...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1csc(Cl)c1 |c:3|
Show InChI InChI=1S/C10H7ClO4S/c1-10(5-2-8(11)16-4-5)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 1.72E+3n/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity at GPR109b assessed as inhibition of forskolin-stimulated cAMP production


J Med Chem 51: 7653-62 (2008)


Article DOI: 10.1021/jm800896z
BindingDB Entry DOI: 10.7270/Q27D2TZ5
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208134
PNG
(5-methyl-5-(4-methyl-thiophen-2-yl)-4-oxo-4,5-dihy...)
Show SMILES Cc1csc(c1)C1(C)OC(=CC1=O)C(O)=O |c:10|
Show InChI InChI=1S/C11H10O4S/c1-6-3-9(16-5-6)11(2)8(12)4-7(15-11)10(13)14/h3-5H,1-2H3,(H,13,14)
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n/an/an/an/a 1.80E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475642
PNG
(CHEMBL201513)
Show SMILES Cn1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C8H7N3O2/c1-11-7-3-2-5(8(12)13)4-6(7)9-10-11/h2-4H,1H3,(H,12,13)
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n/an/an/an/a 2.00E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475640
PNG
(CHEMBL380939)
Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CC1
Show InChI InChI=1S/C10H9N3O2/c14-10(15)6-1-4-9-8(5-6)11-12-13(9)7-2-3-7/h1,4-5,7H,2-3H2,(H,14,15)
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n/an/an/an/a 2.34E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475643
PNG
(CHEMBL370386)
Show SMILES CCC(CC)n1nnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C12H15N3O2/c1-3-9(4-2)15-11-6-5-8(12(16)17)7-10(11)13-14-15/h5-7,9H,3-4H2,1-2H3,(H,16,17)
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n/an/an/an/a 3.02E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475641
PNG
(CHEMBL440041)
Show SMILES OC(=O)c1ccc2n(nnc2c1)C1CCC1
Show InChI InChI=1S/C11H11N3O2/c15-11(16)7-4-5-10-9(6-7)12-13-14(10)8-2-1-3-8/h4-6,8H,1-3H2,(H,15,16)
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n/an/an/an/a 3.09E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50220853
PNG
(5-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-tetrazole | C...)
Show SMILES C1CC1c1cc(n[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4(1)5-3-6(9-8-5)7-10-12-13-11-7/h3-4H,1-2H2,(H,8,9)(H,10,11,12,13)
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n/an/an/an/a 3.23E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50220853
PNG
(5-(5-cyclopropyl-1H-pyrazol-3-yl)-1H-tetrazole | C...)
Show SMILES C1CC1c1cc(n[nH]1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4(1)5-3-6(9-8-5)7-10-12-13-11-7/h3-4H,1-2H2,(H,8,9)(H,10,11,12,13)
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n/an/an/an/a 3.23E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human GPR109b expressed in human adipocytes assessed as decrease in intracellular cAMP level by HTRF assay


Bioorg Med Chem Lett 17: 5620-3 (2007)

Checked by Author
Article DOI: 10.1016/j.bmcl.2007.07.101
BindingDB Entry DOI: 10.7270/Q2TT4QN2
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50475632
PNG
(CHEMBL382863)
Show SMILES CC(C)n1cnc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)
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n/an/an/an/a 3.39E+3n/an/an/an/a



TBA

Curated by PDSP Ki Database


Assay Description
Agonistic activity at GPR109b by cAMP whole cell assay


J Med Chem 49: 1227-30 (2006)


Article DOI: 10.1021/jm051099t
BindingDB Entry DOI: 10.7270/Q2SF2ZZ4
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208116
PNG
(5-(5-chloro-thiophen-2-yl)-5-methyl-4-oxo-4,5-dihy...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccc(Cl)s1 |c:3|
Show InChI InChI=1S/C10H7ClO4S/c1-10(7-2-3-8(11)16-7)6(12)4-5(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 3.70E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414502
PNG
(CHEMBL561720)
Show SMILES OC(=O)c1cc([nH]n1)N(CC1CC1)CC1CC1
Show InChI InChI=1S/C12H17N3O2/c16-12(17)10-5-11(14-13-10)15(6-8-1-2-8)7-9-3-4-9/h5,8-9H,1-4,6-7H2,(H,13,14)(H,16,17)
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n/an/an/an/a 3.98E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208110
PNG
(5-methyl-5-(4-bromo-thiophen-2-yl)-4-oxo-4,5-dihyd...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1cc(Br)cs1 |c:3|
Show InChI InChI=1S/C10H7BrO4S/c1-10(8-2-5(11)4-16-8)7(12)3-6(15-10)9(13)14/h2-4H,1H3,(H,13,14)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at N-terminal HA-tagged GPR109b receptor transfected in forskolin-stimulated cells assessed as cAMP accumulation by flashplate assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208139
PNG
(5-methyl-4-oxo-5-thiophen-3-yl-4,5-dihydro-furan-2...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccsc1 |c:3|
Show InChI InChI=1S/C10H8O4S/c1-10(6-2-3-15-5-6)8(11)4-7(14-10)9(12)13/h2-5H,1H3,(H,12,13)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208138
PNG
((+)-acifran | (-)-acifran | 5-Methyl-4-oxo-5-pheny...)
Show SMILES CC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:3|
Show InChI InChI=1S/C12H10O4/c1-12(8-5-3-2-4-6-8)10(13)7-9(16-12)11(14)15/h2-7H,1H3,(H,14,15)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50414506
PNG
(CHEMBL553415)
Show SMILES CCC(C)Nc1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C8H13N3O2/c1-3-5(2)9-7-4-6(8(12)13)10-11-7/h4-5H,3H2,1-2H3,(H,12,13)(H2,9,10,11)
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n/an/an/an/a 4.47E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at GPR109b receptor transfected in CHOK1 cells assessed as inhibition of forskolin-induced cAMP generation by HTRF assay


Bioorg Med Chem Lett 19: 4207-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.108
BindingDB Entry DOI: 10.7270/Q2GF0TJJ
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 3


(Homo sapiens (Human))
BDBM50208125
PNG
(5-ethyl-4-oxo-5-phenyl-4,5-dihydro-furan-2-carboxy...)
Show SMILES CCC1(OC(=CC1=O)C(O)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C13H12O4/c1-2-13(9-6-4-3-5-7-9)11(14)8-10(17-13)12(15)16/h3-8H,2H2,1H3,(H,15,16)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Activity at GPR109b in CHO cells assessed as inhibition of forskolin-induced cAMP generation


J Med Chem 50: 1445-8 (2007)


Article DOI: 10.1021/jm070022x
BindingDB Entry DOI: 10.7270/Q2BK1C1Z
More data for this
Ligand-Target Pair
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