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There are 13 purchasable compounds for target: HCA1

Wt: 154.1
BDBM50336490
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Wt: 138.1
BDBM50336491
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Wt: 172.5
BDBM50391825
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Wt: 137.9
BDBM50391826
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Wt: 217.0
BDBM50391815
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Wt: 214.2
BDBM50391816
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Wt: 194.2
BDBM50391817
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Wt: 168.1
BDBM50391818
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Wt: 152.1
BDBM50391819
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Wt: 163.1
BDBM50391820
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Wt: 206.1
BDBM50391821
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Wt: 156.1
BDBM50391822
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Wt: 139.1
BDBM50391823
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50336490,50336491,50391825,50391826,50391815,50391816,50391817,50391818,50391819,50391820,50391821,50391822,50391823   
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 1


(Homo sapiens (Human))
BDBM50336490
PNG
(3,5-DIHYDROXYBENZOATE | 3,5-Dihydroxy-benzoic acid...)
Show SMILES OC(=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
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n/an/an/an/a 3.77E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391823
PNG
(CHEMBL2146902)
Show SMILES OC(=O)c1cncc(O)c1
Show InChI InChI=1S/C6H5NO3/c8-5-1-4(6(9)10)2-7-3-5/h1-3,8H,(H,9,10)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50336491
PNG
(3-Hydroxy-benzoic acid | 3-Hydroxybenzoate | 3-Hyd...)
Show SMILES OC(=O)c1cccc(O)c1
Show InChI InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
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n/an/an/an/a 1.84E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391818
PNG
(CHEMBL2146904)
Show SMILES COc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C8H8O4/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,9H,1H3,(H,10,11)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391819
PNG
(CHEMBL2146905)
Show SMILES Cc1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
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n/an/an/an/a 4.20E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391817
PNG
(CHEMBL2146485)
Show SMILES CC(C)(C)c1cc(O)cc(c1)C(O)=O
Show InChI InChI=1S/C11H14O3/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6,12H,1-3H3,(H,13,14)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391826
PNG
(CHEMBL2146990)
Show SMILES OB(O)c1cccc(O)c1
Show InChI InChI=1S/C6H7BO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8-10H
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391821
PNG
(CHEMBL2146907)
Show SMILES OC(=O)c1cc(O)cc(c1)C(F)(F)F
Show InChI InChI=1S/C8H5F3O3/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3,12H,(H,13,14)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391820
PNG
(CHEMBL2146908)
Show SMILES OC(=O)c1cc(O)cc(c1)C#N
Show InChI InChI=1S/C8H5NO3/c9-4-5-1-6(8(11)12)3-7(10)2-5/h1-3,10H,(H,11,12)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391815
PNG
(CHEMBL2146909)
Show SMILES OC(=O)c1cc(O)cc(Br)c1
Show InChI InChI=1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
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n/an/an/an/a 1.29E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391825
PNG
(CHEMBL2146910)
Show SMILES OC(=O)c1cc(O)cc(Cl)c1
Show InChI InChI=1S/C7H5ClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
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n/an/an/an/a 1.60E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391822
PNG
(CHEMBL2146989)
Show SMILES OC(=O)c1cc(O)cc(F)c1
Show InChI InChI=1S/C7H5FO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
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n/an/an/an/a 3.80E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 1


(Homo sapiens (Human))
BDBM50391816
PNG
(CHEMBL2146906)
Show SMILES OC(=O)c1cc(O)cc(c1)-c1ccccc1
Show InChI InChI=1S/C13H10O3/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
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TBA

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant GPR81 transfected in african green monkey COS-7 cells after 20 mins by [35S]GTPgammaS binding assay


ACS Med Chem Lett 3: 637-639 (2012)

More data for this
Ligand-Target Pair