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Compile Data Set for Download or QSAR

Found 111 hits from Astellas Pharma Inc.   
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
Glycine-1-transporter


(HUMAN)
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50102692
PNG
(4-Benzyloxy-N-(1-dimethylamino-cyclopentylmethyl)-...)
Show SMILES COc1cc(cc(OC)c1OCc1ccccc1)C(=O)NCC1(CCCC1)N(C)C
Show InChI InChI=1S/C24H32N2O4/c1-26(2)24(12-8-9-13-24)17-25-23(27)19-14-20(28-3)22(21(15-19)29-4)30-16-18-10-6-5-7-11-18/h5-7,10-11,14-15H,8-9,12-13,16-17H2,1-4H3,(H,25,27)
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n/an/a 22n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351462
PNG
(CHEMBL1819515)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-9-11-22(26)12-10-21)18-28-24(30)19-13-15-29(16-14-19)17-20-7-5-6-8-23(20)27/h5-12,19H,3-4,13-18H2,1-2H3,(H,28,30)
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n/an/a 36n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439754
PNG
(CHEMBL2419440)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C
Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351473
PNG
(CHEMBL1819517)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-7-11-23(27)12-8-21)18-28-24(30)20-13-15-29(16-14-20)17-19-5-9-22(26)10-6-19/h5-12,20H,3-4,13-18H2,1-2H3,(H,28,30)
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n/an/a 82n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351456
PNG
(CHEMBL1819509)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H33FN2O/c1-3-25(4-2,22-10-12-23(26)13-11-22)19-27-24(29)21-14-16-28(17-15-21)18-20-8-6-5-7-9-20/h5-13,21H,3-4,14-19H2,1-2H3,(H,27,29)
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n/an/a 85n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351458
PNG
(CHEMBL1819511)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O/c1-3-26(4-2,23-10-12-24(27)13-11-23)20-28-25(30)22-15-18-29(19-16-22)17-14-21-8-6-5-7-9-21/h5-13,22H,3-4,14-20H2,1-2H3,(H,28,30)
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n/an/a 89n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351467
PNG
(CHEMBL1819521)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2ccccc2F)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H34F2N2O/c1-3-26(4-2,22-9-11-23(27)12-10-22)19-29-25(31)21-14-17-30(18-15-21)16-13-20-7-5-6-8-24(20)28/h5-12,21H,3-4,13-19H2,1-2H3,(H,29,31)
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n/an/a 90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351465
PNG
(CHEMBL1819519)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2cccc(OC)c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O2/c1-4-26(5-2,22-9-11-23(27)12-10-22)19-28-25(30)21-13-15-29(16-14-21)18-20-7-6-8-24(17-20)31-3/h6-12,17,21H,4-5,13-16,18-19H2,1-3H3,(H,28,30)
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n/an/a 94n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439750
PNG
(CHEMBL2419441)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351464
PNG
(CHEMBL1819518)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2ccccc2OC)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O2/c1-4-26(5-2,22-10-12-23(27)13-11-22)19-28-25(30)20-14-16-29(17-15-20)18-21-8-6-7-9-24(21)31-3/h6-13,20H,4-5,14-19H2,1-3H3,(H,28,30)
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n/an/a 120n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351463
PNG
(CHEMBL1819516)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32F2N2O/c1-3-25(4-2,21-8-10-22(26)11-9-21)18-28-24(30)20-12-14-29(15-13-20)17-19-6-5-7-23(27)16-19/h5-11,16,20H,3-4,12-15,17-18H2,1-2H3,(H,28,30)
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351455
PNG
(CHEMBL1819508)
Show SMILES CC(C)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C23H29FN2O/c1-23(2,20-8-10-21(24)11-9-20)17-25-22(27)19-12-14-26(15-13-19)16-18-6-4-3-5-7-18/h3-11,19H,12-17H2,1-2H3,(H,25,27)
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351468
PNG
(CHEMBL1819522)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2cccc(F)c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H34F2N2O/c1-3-26(4-2,22-8-10-23(27)11-9-22)19-29-25(31)21-13-16-30(17-14-21)15-12-20-6-5-7-24(28)18-20/h5-11,18,21H,3-4,12-17,19H2,1-2H3,(H,29,31)
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n/an/a 130n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351471
PNG
(CHEMBL1819525)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2cccc(OC)c2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O2/c1-4-27(5-2,23-9-11-24(28)12-10-23)20-29-26(31)22-14-17-30(18-15-22)16-13-21-7-6-8-25(19-21)32-3/h6-12,19,22H,4-5,13-18,20H2,1-3H3,(H,29,31)
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n/an/a 140n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439754
PNG
(CHEMBL2419440)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C
Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351470
PNG
(CHEMBL1819524)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2ccccc2OC)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O2/c1-4-27(5-2,23-10-12-24(28)13-11-23)20-29-26(31)22-15-18-30(19-16-22)17-14-21-8-6-7-9-25(21)32-3/h6-13,22H,4-5,14-20H2,1-3H3,(H,29,31)
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n/an/a 170n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351469
PNG
(CHEMBL1819523)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2ccc(F)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H34F2N2O/c1-3-26(4-2,22-7-11-24(28)12-8-22)19-29-25(31)21-14-17-30(18-15-21)16-13-20-5-9-23(27)10-6-20/h5-12,21H,3-4,13-19H2,1-2H3,(H,29,31)
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n/an/a 180n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50335001
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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n/an/a 190n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351466
PNG
(CHEMBL1819520)
Show SMILES CCC(CC)(CNC(=O)C1CCN(Cc2ccc(OC)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O2/c1-4-26(5-2,22-8-10-23(27)11-9-22)19-28-25(30)21-14-16-29(17-15-21)18-20-6-12-24(31-3)13-7-20/h6-13,21H,4-5,14-19H2,1-3H3,(H,28,30)
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n/an/a 200n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351448
PNG
(CHEMBL1819501)
Show SMILES Fc1ccc(cc1)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCC1
Show InChI InChI=1S/C25H31FN2O/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)19-27-24(29)21-12-16-28(17-13-21)18-20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2,(H,27,29)
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n/an/a 220n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50335010
PNG
(3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-t...)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C22H18FN3/c1-2-21-24-25-22(26(21)20-11-7-6-10-19(20)23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
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n/an/a 220n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50335010
PNG
(3-Biphenyl-4-yl-5-ethyl-4-(2-fluorophenyl)-1,2,4-t...)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C22H18FN3/c1-2-21-24-25-22(26(21)20-11-7-6-10-19(20)23)18-14-12-17(13-15-18)16-8-4-3-5-9-16/h3-15H,2H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351459
PNG
(CHEMBL1819512)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O/c1-3-27(4-2,24-12-14-25(28)15-13-24)21-29-26(31)23-16-19-30(20-17-23)18-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-15,23H,3-4,8,11,16-21H2,1-2H3,(H,29,31)
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n/an/a 240n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439740
PNG
(CHEMBL2419428)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(CO)c1C
Show InChI InChI=1S/C24H23N3O/c1-3-23-25-26-24(27(23)22-11-7-10-21(16-28)17(22)2)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15,28H,3,16H2,1-2H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351460
PNG
(CHEMBL1819513)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H39FN2O/c1-3-28(4-2,25-13-15-26(29)16-14-25)22-30-27(32)24-17-20-31(21-18-24)19-9-8-12-23-10-6-5-7-11-23/h5-7,10-11,13-16,24H,3-4,8-9,12,17-22H2,1-2H3,(H,30,32)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351461
PNG
(CHEMBL1819514)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCOc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H35FN2O2/c1-3-26(4-2,22-10-12-23(27)13-11-22)20-28-25(30)21-14-16-29(17-15-21)18-19-31-24-8-6-5-7-9-24/h5-13,21H,3-4,14-20H2,1-2H3,(H,28,30)
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n/an/a 260n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439745
PNG
(CHEMBL2419423)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C
Show InChI InChI=1S/C23H21N3/c1-3-22-24-25-23(26(22)21-12-8-7-9-17(21)2)20-15-13-19(14-16-20)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351444
PNG
(CHEMBL1819500)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)NCC2(CCCCC2)c2ccc(F)cc2)cc1OC
Show InChI InChI=1S/C28H37FN2O3/c1-33-25-11-6-21(18-26(25)34-2)19-31-16-12-22(13-17-31)27(32)30-20-28(14-4-3-5-15-28)23-7-9-24(29)10-8-23/h6-11,18,22H,3-5,12-17,19-20H2,1-2H3,(H,30,32)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439743
PNG
(CHEMBL2419425)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N)c1C
Show InChI InChI=1S/C23H22N4/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3,24H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439741
PNG
(CHEMBL2419427)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(O)c1C
Show InChI InChI=1S/C23H21N3O/c1-3-22-24-25-23(26(22)20-10-7-11-21(27)16(20)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15,27H,3H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50335001
PNG
(3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-methyl-4H-1,2...)
Show SMILES Cc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C21H16FN3/c1-15-23-24-21(25(15)20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
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n/an/a 340n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50439743
PNG
(CHEMBL2419425)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N)c1C
Show InChI InChI=1S/C23H22N4/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3,24H2,1-2H3
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n/an/a 340n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50360093
PNG
(CHEMBL1928737)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2cnccc12
Show InChI InChI=1S/C25H20N4/c1-2-24-27-28-25(20-13-11-19(12-14-20)18-7-4-3-5-8-18)29(24)23-10-6-9-21-17-26-16-15-22(21)23/h3-17H,2H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351457
PNG
(CHEMBL1819510)
Show SMILES CCCC(CCC)(CNC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O/c1-3-16-27(17-4-2,24-10-12-25(28)13-11-24)21-29-26(31)23-14-18-30(19-15-23)20-22-8-6-5-7-9-22/h5-13,23H,3-4,14-21H2,1-2H3,(H,29,31)
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n/an/a 370n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351449
PNG
(CHEMBL1819502)
Show SMILES Fc1ccc(cc1)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCC1
Show InChI InChI=1S/C24H29FN2O/c25-22-9-7-21(8-10-22)24(13-4-14-24)18-26-23(28)20-11-15-27(16-12-20)17-19-5-2-1-3-6-19/h1-3,5-10,20H,4,11-18H2,(H,26,28)
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n/an/a 390n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439731
PNG
(CHEMBL2419437)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(C#N)c1C
Show InChI InChI=1S/C24H20N4/c1-3-23-26-27-24(28(23)22-11-7-10-21(16-25)17(22)2)20-14-12-19(13-15-20)18-8-5-4-6-9-18/h4-15H,3H2,1-2H3
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351445
PNG
(CHEMBL1819499)
Show SMILES Fc1ccc(cc1)C1(CNC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1
Show InChI InChI=1S/C26H33FN2O/c27-24-11-9-23(10-12-24)26(15-5-2-6-16-26)20-28-25(30)22-13-17-29(18-14-22)19-21-7-3-1-4-8-21/h1,3-4,7-12,22H,2,5-6,13-20H2,(H,28,30)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50439754
PNG
(CHEMBL2419440)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1cccc(C#N)c1C
Show InChI InChI=1S/C23H19N5/c1-3-22-26-27-23(28(22)21-11-7-10-18(14-24)16(21)2)19-12-13-20(25-15-19)17-8-5-4-6-9-17/h4-13,15H,3H2,1-2H3
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n/an/a 590n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in human SK-N-MC cells


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439737
PNG
(CHEMBL2419431)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(F)c1C
Show InChI InChI=1S/C23H20FN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
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n/an/a 630n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50366040
PNG
(CHEMBL1956589)
Show SMILES Cc1cc(NCCO)nc(n1)-c1ccc(Br)cc1
Show InChI InChI=1S/C13H14BrN3O/c1-9-8-12(15-6-7-18)17-13(16-9)10-2-4-11(14)5-3-10/h2-5,8,18H,6-7H2,1H3,(H,15,16,17)
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n/an/a 660n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem 20: 2369-75 (2012)


Article DOI: 10.1016/j.bmc.2012.02.006
BindingDB Entry DOI: 10.7270/Q29S1RHJ
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50439737
PNG
(CHEMBL2419431)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(F)c1C
Show InChI InChI=1S/C23H20FN3/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439749
PNG
(CHEMBL2417571)
Show SMILES CCc1nnc(-c2ccc(cn2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)18-13-12-16(14-23-18)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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n/an/a 700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50439745
PNG
(CHEMBL2419423)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1C
Show InChI InChI=1S/C23H21N3/c1-3-22-24-25-23(26(22)21-12-8-7-9-17(21)2)20-15-13-19(14-16-20)18-10-5-4-6-11-18/h4-16H,3H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351453
PNG
(CHEMBL1819506)
Show SMILES CN(CC1(CCCCC1)c1ccc(F)cc1)C(=O)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H35FN2O/c1-29(21-27(16-6-3-7-17-27)24-10-12-25(28)13-11-24)26(31)23-14-18-30(19-15-23)20-22-8-4-2-5-9-22/h2,4-5,8-13,23H,3,6-7,14-21H2,1H3
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n/an/a 750n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Voltage-gated T-type calcium channel


(Homo sapiens)
BDBM50351472
PNG
(CHEMBL1819526)
Show SMILES CCC(CC)(CNC(=O)C1CCN(CCc2ccc(OC)cc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H37FN2O2/c1-4-27(5-2,23-8-10-24(28)11-9-23)20-29-26(31)22-15-18-30(19-16-22)17-14-21-6-12-25(32-3)13-7-21/h6-13,22H,4-5,14-20H2,1-3H3,(H,29,31)
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n/an/a 770n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Cav3.1 alpha1G expressed in HEK293 cells assessed as inhibition of calcium influx by FLIPR assay


Bioorg Med Chem 19: 5628-38 (2011)


Article DOI: 10.1016/j.bmc.2011.07.030
BindingDB Entry DOI: 10.7270/Q29887DG
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50356025
PNG
(CHEMBL1911522)
Show SMILES CCCCOc1cccc(OCc2nc3ccccc3c(O)c2C)c1
Show InChI InChI=1S/C21H23NO3/c1-3-4-12-24-16-8-7-9-17(13-16)25-14-20-15(2)21(23)18-10-5-6-11-19(18)22-20/h5-11,13H,3-4,12,14H2,1-2H3,(H,22,23)
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n/an/a 780n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6861-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.015
BindingDB Entry DOI: 10.7270/Q2HH6KG1
More data for this
Ligand-Target Pair
Glycine transporter 2


(Rattus norvegicus)
BDBM50439750
PNG
(CHEMBL2419441)
Show SMILES CCc1nnc(-c2ccc(nc2)-c2ccccc2)n1-c1ccccc1F
Show InChI InChI=1S/C21H17FN4/c1-2-20-24-25-21(26(20)19-11-7-6-10-17(19)22)16-12-13-18(23-14-16)15-8-4-3-5-9-15/h3-14H,2H2,1H3
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n/an/a 790n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mins by scintillation counting analysis


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
Glycine-1-transporter


(HUMAN)
BDBM50439755
PNG
(CHEMBL2419438)
Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(c1C)[N+]([O-])=O
Show InChI InChI=1S/C23H20N4O2/c1-3-22-24-25-23(26(22)20-10-7-11-21(16(20)2)27(28)29)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
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n/an/a 800n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...


J Med Chem 56: 5744-56 (2014)


Article DOI: 10.1021/jm400383w
BindingDB Entry DOI: 10.7270/Q2D79CVX
More data for this
Ligand-Target Pair
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