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14 similar compounds to monomer 50064617

Wt: 268.3
BDBM50064616
Wt: 394.7
BDBM50064638
Wt: 331.4
BDBM50064641
Wt: 223.2
BDBM50064618
Purchase
Wt: 221.2
BDBM50064619
Purchase
Wt: 452.5
BDBM50064622
Wt: 423.5
BDBM50064623
Wt: 455.5
BDBM50064625
Wt: 500.6
BDBM50064628
Wt: 518.6
BDBM50064631
Wt: 383.8
BDBM50064640
Wt: 369.4
BDBM50064645
Wt: 369.4
BDBM50064649
Wt: 381.5
BDBM50064650

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50064616,50064638,50064641,50064618,50064619,50064622,50064623,50064625,50064628,50064631,50064640,50064645,50064649,50064650   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50064616
PNG
(CHEMBL3403723)
Show SMILES CCCC(C)c1cc(OC(=O)N2CCOCC2)no1
Show InChI InChI=1/C13H20N2O4/c1-3-4-10(2)11-9-12(14-19-11)18-13(16)15-5-7-17-8-6-15/h9-10H,3-8H2,1-2H3
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PubMed
2.70n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50064618
PNG
(BENDIOCARB | Bendiocarb | CHEBI:34556)
Show SMILES CNC(=O)Oc1cccc2OC(C)(C)Oc12
Show InChI InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
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111n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50064619
PNG
(CARBOFURAN | CHEBI:34611 | Carbofuran | Furadan)
Show SMILES CNC(=O)Oc1cccc2CC(C)(C)Oc12
Show InChI InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
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428n/an/an/an/an/an/an/an/a



Virginia Tech

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE


Bioorg Med Chem 23: 1321-40 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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2.73E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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7.13E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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9.56E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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9.66E+3n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064631
PNG
(CHEMBL3403739)
Show SMILES CCOC(=O)c1c(C)c(sc1NC(=O)c1sc(Nc2ccc(OC)cc2)nc1N(C)C)C(=O)OC
Show InChI InChI=1S/C23H26N4O6S2/c1-7-33-21(29)15-12(2)16(22(30)32-6)34-20(15)26-19(28)17-18(27(3)4)25-23(35-17)24-13-8-10-14(31-5)11-9-13/h8-11H,7H2,1-6H3,(H,24,25)(H,26,28)
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1.40E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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2.23E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064622
PNG
(CHEMBL3403730)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064628
PNG
(CHEMBL3403736)
Show SMILES COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C#N)-c2ccc(C)cc2)cc1
Show InChI InChI=1S/C27H24N4O2S2/c1-16-7-9-17(10-8-16)23-24(35-27(30-23)29-18-11-13-19(33-2)14-12-18)25(32)31-26-21(15-28)20-5-3-4-6-22(20)34-26/h7-14H,3-6H2,1-2H3,(H,29,30)(H,31,32)
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>3.00E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064625
PNG
(CHEMBL3403733)
Show SMILES CN(C)c1nc(Nc2ccc(C)cc2)sc1C(=O)Nc1sc2CCCCc2c1C(N)=O
Show InChI InChI=1S/C22H25N5O2S2/c1-12-8-10-13(11-9-12)24-22-25-19(27(2)3)17(31-22)20(29)26-21-16(18(23)28)14-6-4-5-7-15(14)30-21/h8-11H,4-7H2,1-3H3,(H2,23,28)(H,24,25)(H,26,29)
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3.24E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50064623
PNG
(CHEMBL3403731)
Show SMILES CN(C)c1nc(Nc2ccccc2)sc1C(=O)Nc1sc2CCCCc2c1C#N
Show InChI InChI=1S/C21H21N5OS2/c1-26(2)18-17(29-21(24-18)23-13-8-4-3-5-9-13)19(27)25-20-15(12-22)14-10-6-7-11-16(14)28-20/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,23,24)(H,25,27)
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3.56E+4n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50064622
PNG
(CHEMBL3403730)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50064622
PNG
(CHEMBL3403730)
Show SMILES CCOC(=O)c1c(NC(=O)c2sc(NOC(C)=O)nc2N(C)C)sc2CCCCc12
Show InChI InChI=1S/C19H24N4O5S2/c1-5-27-18(26)13-11-8-6-7-9-12(11)29-17(13)21-16(25)14-15(23(3)4)20-19(30-14)22-28-10(2)24/h5-9H2,1-4H3,(H,20,22)(H,21,25)
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>1.00E+5n/an/an/an/an/an/an/an/a



B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells


Bioorg Med Chem Lett 25: 1306-9 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064649
PNG
(CHEMBL3403772)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H](C)c1ccccc1
Show InChI InChI=1/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22+/s2
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064650
PNG
(CHEMBL3403773)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1/C24H31NO3/c1-3-7-17(2)16-28-20-12-10-19(11-13-20)23(15-26)25-24(27)22-14-21(22)18-8-5-4-6-9-18/h4-6,8-13,17,21-23,26H,3,7,14-16H2,1-2H3,(H,25,27)/t17?,21-,22+,23+/s2
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n/an/an/an/a 730n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064645
PNG
(CHEMBL3403768)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/s2
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064641
PNG
(CHEMBL3403764)
Show SMILES OCC(NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2c1
Show InChI InChI=1/C22H21NO2/c24-14-21(18-11-10-15-6-4-5-9-17(15)12-18)23-22(25)20-13-19(20)16-7-2-1-3-8-16/h1-12,19-21,24H,13-14H2,(H,23,25)/t19-,20+,21?/s2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at GPR88 (unknown origin) transfected in forskolin-stimulated HEK cells assessed as inhibition of cAMP production after 30 mins by H...


Bioorg Med Chem Lett 25: 1448-52 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064645
PNG
(CHEMBL3403768)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/s2
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n/an/an/an/a 194n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPLS-HA-tagged-GPR88 (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production measu...


Citation and Details
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50064638
PNG
(CHEMBL3403744)
Show SMILES Cn1nc(cc1-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl)C(F)(F)F
Show InChI InChI=1S/C18H11ClF4N4/c1-27-14(7-15(26-27)18(21,22)23)10-5-9-6-13(25-17(9)24-8-10)16-11(19)3-2-4-12(16)20/h2-8H,1H3,(H,24,25)
KEGG

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n/an/a<100n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Bioorg Med Chem Lett 25: 1217-22 (2015)

More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 88


(Homo sapiens)
BDBM50064645
PNG
(CHEMBL3403768)
Show SMILES CCCC(C)COc1ccc(cc1)[C@H](CO)NC(=O)[C@@H](C)c1ccccc1
Show InChI InChI=1/C23H31NO3/c1-4-8-17(2)16-27-21-13-11-20(12-14-21)22(15-25)24-23(26)18(3)19-9-6-5-7-10-19/h5-7,9-14,17-18,22,25H,4,8,15-16H2,1-3H3,(H,24,26)/t17?,18-,22-/s2
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n/an/an/an/a 195n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at PPLS-HA-tagged-GPR88 (unknown origin) expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production measu...


Citation and Details
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50064640
PNG
(CHEMBL3403753)
Show SMILES COc1cc(OC)c(cn1)-c1cnc2[nH]c(cc2c1)-c1c(F)cccc1Cl
Show InChI InChI=1S/C20H15ClFN3O2/c1-26-17-8-18(27-2)23-10-13(17)12-6-11-7-16(25-20(11)24-9-12)19-14(21)4-3-5-15(19)22/h3-10H,1-2H3,(H,24,25)
KEGG

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n/an/a 440n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human Orai1/STIM1 expressed in HEK293 cells assessed as inhibition of channel-mediated calcium current by electrophysiology assay in pr...


Bioorg Med Chem Lett 25: 1217-22 (2015)

More data for this
Ligand-Target Pair