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31 similar compounds to monomer 50164482

Compile data set for download or QSAR
Wt: 386.4
BDBM50215145
Wt: 374.4
BDBM50164475
Wt: 444.4
BDBM50164493
Wt: 177.1
BDBM50170277
Wt: 177.1
BDBM50170278
Wt: 359.4
BDBM50164483
Wt: 357.4
BDBM50164484
Wt: 387.4
BDBM50164485
Wt: 425.4
BDBM50164486
Wt: 317.3
BDBM50164476
Wt: 470.4
BDBM50164497
Wt: 402.4
BDBM50164501
Wt: 416.4
BDBM50164502
Wt: 458.5
BDBM50164495
Wt: 424.4
BDBM50164499
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50215145,50164475,50164493,50170277,50170278,50164483,50164484,50164485,50164486,50164476,50164497,50164501,50164502,50164495,50164499   
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
GRIA2


(Homo sapiens (Human))
BDBM50164485
PNG
(CHEMBL3799657)
Show SMILES CCN(Cc1cc(=O)n2c([C@@H]3C[C@H]3CO)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H22FN3O2S/c1-3-23(16-6-4-14(21)5-7-16)10-15-9-18(26)24-19(17-8-13(17)11-25)12(2)27-20(24)22-15/h4-7,9,13,17,25H,3,8,10-11H2,1-2H3/t13-,17+/s2
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n/an/an/an/a 870n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215145
PNG
(CHEMBL322529)
Show SMILES COc1ccc(cc1N)-c1sc(C)nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O4S/c1-11-22-18(13-9-16(24-3)19(26-5)17(10-13)25-4)20(27-11)12-6-7-15(23-2)14(21)8-12/h6-10H,21H2,1-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164484
PNG
(CHEMBL3797659)
Show SMILES CCN(Cc1cc(=O)n2c(C(C)=C)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10H,2,5,11H2,1,3-4H3
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n/an/an/an/a 60n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164483
PNG
(CHEMBL3798757)
Show SMILES CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9H,4,10H2,1-3H3
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n/an/an/an/a 88n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164484
PNG
(CHEMBL3797659)
Show SMILES CCN(Cc1cc(=O)n2c(C(C)=C)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10H,2,5,11H2,1,3-4H3
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n/an/an/an/a 1.30E+4n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164483
PNG
(CHEMBL3798757)
Show SMILES CCN(Cc1cc(=O)n2c(C(C)=O)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O2S/c1-4-21(15-7-5-13(19)6-8-15)10-14-9-16(24)22-17(11(2)23)12(3)25-18(22)20-14/h5-9H,4,10H2,1-3H3
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n/an/an/an/a 9.40E+3n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164486
PNG
(CHEMBL3797897)
Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C18H18F3N5O2S/c1-3-22-16(28)15-9(2)29-17-23-11(6-14(27)26(15)17)8-25-12(10-4-5-10)7-13(24-25)18(19,20)21/h6-7,10H,3-5,8H2,1-2H3,(H,22,28)
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n/an/an/an/a 6.40E+3n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164484
PNG
(CHEMBL3797659)
Show SMILES CCN(Cc1cc(=O)n2c(C(C)=C)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3OS/c1-5-22(16-8-6-14(20)7-9-16)11-15-10-17(24)23-18(12(2)3)13(4)25-19(23)21-15/h6-10H,2,5,11H2,1,3-4H3
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n/an/an/an/a 4.31E+4n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164486
PNG
(CHEMBL3797897)
Show SMILES CCNC(=O)c1c(C)sc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C18H18F3N5O2S/c1-3-22-16(28)15-9(2)29-17-23-11(6-14(27)26(15)17)8-25-12(10-4-5-10)7-13(24-25)18(19,20)21/h6-7,10H,3-5,8H2,1-2H3,(H,22,28)
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n/an/an/an/a 536n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164485
PNG
(CHEMBL3799657)
Show SMILES CCN(Cc1cc(=O)n2c([C@@H]3C[C@H]3CO)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H22FN3O2S/c1-3-23(16-6-4-14(21)5-7-16)10-15-9-18(26)24-19(17-8-13(17)11-25)12(2)27-20(24)22-15/h4-7,9,13,17,25H,3,8,10-11H2,1-2H3/t13-,17+/s2
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n/an/an/an/a 24n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164485
PNG
(CHEMBL3799657)
Show SMILES CCN(Cc1cc(=O)n2c([C@@H]3C[C@H]3CO)c(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H22FN3O2S/c1-3-23(16-6-4-14(21)5-7-16)10-15-9-18(26)24-19(17-8-13(17)11-25)12(2)27-20(24)22-15/h4-7,9,13,17,25H,3,8,10-11H2,1-2H3/t13-,17+/s2
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n/an/an/an/a 204n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164476
PNG
(CHEMBL3799732)
Show SMILES CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3OS/c1-3-19(14-6-4-12(17)5-7-14)10-13-8-15(21)20-9-11(2)22-16(20)18-13/h4-9H,3,10H2,1-2H3
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n/an/an/an/a 252n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flip isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164476
PNG
(CHEMBL3799732)
Show SMILES CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3OS/c1-3-19(14-6-4-12(17)5-7-14)10-13-8-15(21)20-9-11(2)22-16(20)18-13/h4-9H,3,10H2,1-2H3
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n/an/an/an/a 312n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
GRIA2


(Homo sapiens (Human))
BDBM50164476
PNG
(CHEMBL3799732)
Show SMILES CCN(Cc1cc(=O)n2cc(C)sc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C16H16FN3OS/c1-3-19(14-6-4-12(17)5-7-14)10-13-8-15(21)20-9-11(2)22-16(20)18-13/h4-9H,3,10H2,1-2H3
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n/an/an/an/a 245n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GluA2 AMPAR flop isomer expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator dye ba...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164493
PNG
(CHEMBL3800513)
Show SMILES CC(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H24N4O4/c1-15(2)20-21(27-32-22(20)17-6-4-3-5-7-17)24-26-23(28-33-24)18-10-8-16(9-11-18)12-29-13-19(14-29)25(30)31/h3-11,15,19H,12-14H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.30n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164495
PNG
(CHEMBL3798531)
Show SMILES CC(C)(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C26H26N4O4/c1-26(2,3)20-21(28-33-22(20)17-7-5-4-6-8-17)24-27-23(29-34-24)18-11-9-16(10-12-18)13-30-14-19(15-30)25(31)32/h4-12,19H,13-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 5.30n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164497
PNG
(CHEMBL3800349)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(28-33-19(17)14-4-2-1-3-5-14)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32)
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n/an/an/an/a 0.980n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164499
PNG
(CHEMBL3797951)
Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29)
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n/an/an/an/a 0.300n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164501
PNG
(CHEMBL3798560)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2cc(no2)-c2ccccc2)C1
Show InChI InChI=1S/C22H18N4O4/c27-22(28)17-12-26(13-17)11-14-6-8-16(9-7-14)20-23-21(30-25-20)19-10-18(24-29-19)15-4-2-1-3-5-15/h1-10,17H,11-13H2,(H,27,28)
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n/an/an/an/a 25n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50164502
PNG
(CHEMBL3799276)
Show SMILES Cc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O4/c1-14-19(16-5-3-2-4-6-16)25-30-20(14)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 1.70n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164493
PNG
(CHEMBL3800513)
Show SMILES CC(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C25H24N4O4/c1-15(2)20-21(27-32-22(20)17-6-4-3-5-7-17)24-26-23(28-33-24)18-10-8-16(9-11-18)12-29-13-19(14-29)25(30)31/h3-11,15,19H,12-14H2,1-2H3,(H,30,31)
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n/an/an/an/a 5.10E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164495
PNG
(CHEMBL3798531)
Show SMILES CC(C)(C)c1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C26H26N4O4/c1-26(2,3)20-21(28-33-22(20)17-7-5-4-6-8-17)24-27-23(29-34-24)18-11-9-16(10-12-18)13-30-14-19(15-30)25(31)32/h4-12,19H,13-15H2,1-3H3,(H,31,32)
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n/an/an/an/a 2.60E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164497
PNG
(CHEMBL3800349)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C(F)(F)F)-c2ccccc2)C1
Show InChI InChI=1S/C23H17F3N4O4/c24-23(25,26)17-18(28-33-19(17)14-4-2-1-3-5-14)21-27-20(29-34-21)15-8-6-13(7-9-15)10-30-11-16(12-30)22(31)32/h1-9,16H,10-12H2,(H,31,32)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164499
PNG
(CHEMBL3797951)
Show SMILES CCCc1c(CC(C)C)onc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1
Show InChI InChI=1S/C23H28N4O4/c1-4-5-18-19(10-14(2)3)30-25-20(18)22-24-21(26-31-22)16-8-6-15(7-9-16)11-27-12-17(13-27)23(28)29/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,28,29)
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n/an/an/an/a 850n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM50164502
PNG
(CHEMBL3799276)
Show SMILES Cc1c(noc1-c1nc(no1)-c1ccc(CN2CC(C2)C(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H20N4O4/c1-14-19(16-5-3-2-4-6-16)25-30-20(14)22-24-21(26-31-22)17-9-7-15(8-10-17)11-27-12-18(13-27)23(28)29/h2-10,18H,11-13H2,1H3,(H,28,29)
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n/an/an/an/a 9.20E+3n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human S1P3 receptor expressed in EDG3-Ga15-bla HEK293T cell membranes after 45 mins by [35S]-GTPgammaS binding assay


J Med Chem 59: 2820-40 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00089
BindingDB Entry DOI: 10.7270/Q2HH6N0K
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50170277
PNG
(CHEMBL3805717)
Show SMILES Cc1ccnc2[nH]c(=O)c(=O)[nH]c12
Show InChI InChI=1S/C8H7N3O2/c1-4-2-3-9-6-5(4)10-7(12)8(13)11-6/h2-3H,1H3,(H,10,12)(H,9,11,13)
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n/an/a 630n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
D-Amino Acid Oxidase (DAAO)


(Sus scrofa (pig))
BDBM50170278
PNG
(CHEMBL27503)
Show SMILES Cc1cnc2nc(O)c(O)nc2c1
Show InChI InChI=1S/C8H7N3O2/c1-4-2-5-6(9-3-4)11-8(13)7(12)10-5/h2-3H,1H3,(H,10,12)(H,9,11,13)
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n/an/a 3.67E+4n/an/an/an/an/an/a



Shanghai Jiao Tong University

Curated by ChEMBL


Assay Description
Inhibition of DAAO in porcine kidney homogenate using D-alanine as substrate assessed as pyruvate production incubated for 5 mins by microplate reade...


Eur J Med Chem 117: 19-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.017
BindingDB Entry DOI: 10.7270/Q2V989ZS
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50164475
PNG
(CHEMBL3800406)
Show SMILES CCNC(=O)c1c(C)sc2nc(CN(C)c3ccc(F)cc3)cc(=O)n12
Show InChI InChI=1S/C18H19FN4O2S/c1-4-20-17(25)16-11(2)26-18-21-13(9-15(24)23(16)18)10-22(3)14-7-5-12(19)6-8-14/h5-9H,4,10H2,1-3H3,(H,20,25)
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n/an/an/an/a 434n/an/an/an/a



Pharmaron-Beijing Co. Ltd.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of GluN1/GluN2A NMDAR (unknown origin) expressed in Dox-inducible cells measured every 5 mins by BD calcium indicator ...


J Med Chem 59: 2760-79 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02010
BindingDB Entry DOI: 10.7270/Q2N87CQW
More data for this
Ligand-Target Pair