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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'need' and Initial = 'ab'   
Target/Host
(Institution)
LigandTarget/Host
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
GRIA1


(Homo sapiens (Human))
BDBM50184446
PNG
(CHEMBL3823961)
Show SMILES CCOCCN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S2/c1-2-25-10-9-23(13-6-7-15-17(11-13)27-19(24)22-15)18-21-16(12-26-18)14-5-3-4-8-20-14/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)
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n/an/a 22n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
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n/an/a 54n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184419
PNG
(CHEMBL3823445)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H13FN4OS/c1-10(11-2-4-14-15(8-11)24-17(23)20-14)13-6-7-22(21-13)16-5-3-12(18)9-19-16/h2-10H,1H3,(H,20,23)/t10-/m0/s1
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n/an/a 54n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
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n/an/a 62n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184444
PNG
(CHEMBL3823394)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
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n/an/a 122n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
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n/an/a 147n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
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n/an/a 222n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184413
PNG
(CHEMBL3823956)
Show SMILES CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184413
PNG
(CHEMBL3823956)
Show SMILES CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
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n/an/a 353n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 623n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-4 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 1.18E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184445
PNG
(CHEMBL3824102)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 1.79E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184443
PNG
(CHEMBL3824269)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 2.82E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184411
PNG
(CHEMBL3823441)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-8 and human EAAT3 assessed as inhibition o...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
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n/an/a 4.67E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184410
PNG
(CHEBI:71013 | E-2007 | E2007 | ER-155055-90 | Fyco...)
Show SMILES O=c1c(cc(cn1-c1ccccc1)-c1ccccn1)-c1ccccc1C#N
Show InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
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n/an/a 6.51E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
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n/an/a 8.68E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184445
PNG
(CHEMBL3824102)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184443
PNG
(CHEMBL3824269)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184445
PNG
(CHEMBL3824102)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184443
PNG
(CHEMBL3824269)
Show SMILES C[C@@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m1/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184441
PNG
(CHEMBL3823817)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C22H24N4O2S/c1-14(16-5-6-18-19(12-16)29-21(27)24-18)17-9-11-26(25-17)20-7-4-15(13-23-20)8-10-22(2,3)28/h4-7,9,11-14,28H,8,10H2,1-3H3,(H,24,27)/t14-/m0/s1
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n/an/a 9.26E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184444
PNG
(CHEMBL3823394)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
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Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184442
PNG
(CHEMBL3823351)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-12(14-3-4-16-17(10-14)26-19(25)21-16)15-6-8-23(22-15)18-5-2-13(7-9-24)11-20-18/h2-6,8,10-12,24H,7,9H2,1H3,(H,21,25)/t12-/m0/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184444
PNG
(CHEMBL3823394)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C19H18N4O3S/c1-12(13-2-4-16-17(10-13)27-19(25)21-16)15-6-7-23(22-15)18-5-3-14(11-20-18)26-9-8-24/h2-7,10-12,24H,8-9H2,1H3,(H,21,25)/t12-/m0/s1
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n/an/a 6.85E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184411
PNG
(CHEMBL3823441)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
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n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-4 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184411
PNG
(CHEMBL3823441)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
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n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-3 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184419
PNG
(CHEMBL3823445)
Show SMILES C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H13FN4OS/c1-10(11-2-4-14-15(8-11)24-17(23)20-14)13-6-7-22(21-13)16-5-3-12(18)9-19-16/h2-10H,1H3,(H,20,23)/t10-/m0/s1
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n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184418
PNG
(CHEMBL3822572)
Show SMILES Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1
Show InChI InChI=1S/C20H17N7S/c1-26-9-7-15(25-26)12-27(16-5-6-17-14(10-16)11-22-24-17)20-23-19(13-28-20)18-4-2-3-8-21-18/h2-11,13H,12H2,1H3,(H,22,24)
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n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184417
PNG
(CHEMBL3823247)
Show SMILES C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m1/s1
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n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184416
PNG
(CHEMBL3822825)
Show SMILES C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)/t11-/m0/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184415
PNG
(CHEMBL3823222)
Show SMILES CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C17H14N4OS/c1-11(12-5-6-14-15(10-12)23-17(22)19-14)13-7-9-21(20-13)16-4-2-3-8-18-16/h2-11H,1H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184414
PNG
(CHEMBL3823131)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Show InChI InChI=1S/C16H12N4OS2/c1-20(10-5-6-12-14(8-10)23-16(21)19-12)15-18-13(9-22-15)11-4-2-3-7-17-11/h2-9H,1H3,(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184413
PNG
(CHEMBL3823956)
Show SMILES CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H14N6/c1-21(13-5-6-14-12(10-13)11-18-19-14)16-7-9-22(20-16)15-4-2-3-8-17-15/h2-11H,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flop isoform expressed in CHO-S cells coexpressing TARP gamma-2 assessed as inhibition of glutamate-indu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184411
PNG
(CHEMBL3823441)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1
Show InChI InChI=1S/C15H13N3OS/c1-18(11-5-7-12(19)8-6-11)15-17-14(10-20-15)13-4-2-3-9-16-13/h2-10,19H,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
GRIA1


(Homo sapiens (Human))
BDBM50184412
PNG
(CHEMBL3823274)
Show SMILES CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H13N5S/c1-21(12-5-6-13-11(8-12)9-18-20-13)16-19-15(10-22-16)14-4-2-3-7-17-14/h2-10H,1H3,(H,18,20)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>8.33E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human iGluA1 receptor flip isoform expressed in CHO-S cells assessed as inhibition of glutamate-induced increase in intracellu...


J Med Chem 59: 4753-68 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00125
BindingDB Entry DOI: 10.7270/Q2V69MJG
More data for this
Ligand-Target Pair
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