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Compile Data Set for Download or QSAR

Found 299 hits with Last Name = 'peng' and Initial = 'z'   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222915
PNG
(4'-[5-(4-pyrrolidin-1-ylmethyl-phenylamino)-1H-pyr...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCC3)cc2)[nH]n1
Show InChI InChI=1S/C26H26N4O2/c31-22-11-12-23(25(32)15-22)19-5-7-20(8-6-19)24-16-26(29-28-24)27-21-9-3-18(4-10-21)17-30-13-1-2-14-30/h3-12,15-16,31-32H,1-2,13-14,17H2,(H2,27,28,29)
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0.180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222916
PNG
(4'-{5-[4-(dimethylamino-methyl)-phenylamino]-2H-py...)
Show SMILES CN(C)Cc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C24H24N4O2/c1-28(2)15-16-3-9-19(10-4-16)25-24-14-22(26-27-24)18-7-5-17(6-8-18)21-12-11-20(29)13-23(21)30/h3-14,29-30H,15H2,1-2H3,(H2,25,26,27)
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0.190n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222920
PNG
(4'-{5-[6-(sec-butylamino-methyl)-pyridin-3-ylamino...)
Show SMILES CCC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cn1
Show InChI InChI=1S/C25H27N5O2/c1-3-16(2)26-14-19-8-9-20(15-27-19)28-25-13-23(29-30-25)18-6-4-17(5-7-18)22-11-10-21(31)12-24(22)32/h4-13,15-16,26,31-32H,3,14H2,1-2H3,(H2,28,29,30)
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0.200n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222917
PNG
(4'-[5-(6-piperidin-1-ylmethyl-pyridin-3-ylamino)-1...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CN3CCCCC3)nc2)[nH]n1
Show InChI InChI=1S/C26H27N5O2/c32-22-10-11-23(25(33)14-22)18-4-6-19(7-5-18)24-15-26(30-29-24)28-20-8-9-21(27-16-20)17-31-12-2-1-3-13-31/h4-11,14-16,32-33H,1-3,12-13,17H2,(H2,28,29,30)
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0.300n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222913
PNG
(4'-{5-[4-(isopropylamino-methyl)-phenylamino]-2H-p...)
Show SMILES CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Show InChI InChI=1S/C25H26N4O2/c1-16(2)26-15-17-3-9-20(10-4-17)27-25-14-23(28-29-25)19-7-5-18(6-8-19)22-12-11-21(30)13-24(22)31/h3-14,16,26,30-31H,15H2,1-2H3,(H2,27,28,29)
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0.360n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222914
PNG
(4'-[5-(4-cyclopropylaminomethyl-phenylamino)-2H-py...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNC3CC3)cc2)[nH]n1
Show InChI InChI=1S/C25H24N4O2/c30-21-11-12-22(24(31)13-21)17-3-5-18(6-4-17)23-14-25(29-28-23)27-20-7-1-16(2-8-20)15-26-19-9-10-19/h1-8,11-14,19,26,30-31H,9-10,15H2,(H2,27,28,29)
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0.380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222921
PNG
(3-(1H-benzo[d]imidazol-2-yl)-N-(2,4-dihydroxypheny...)
Show SMILES Oc1ccc(NC(=O)c2ccc3c(n[nH]c3c2)-c2nc3ccccc3[nH]2)c(O)c1
Show InChI InChI=1S/C21H15N5O3/c27-12-6-8-16(18(28)10-12)24-21(29)11-5-7-13-17(9-11)25-26-19(13)20-22-14-3-1-2-4-15(14)23-20/h1-10,27-28H,(H,22,23)(H,24,29)(H,25,26)
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0.5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222919
PNG
(4'-(5-{6-[(cyclopropylmethyl-amino)-methyl]-pyridi...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccc(CNCC3CC3)nc2)[nH]n1
Show InChI InChI=1S/C25H25N5O2/c31-21-9-10-22(24(32)11-21)17-3-5-18(6-4-17)23-12-25(30-29-23)28-20-8-7-19(27-15-20)14-26-13-16-1-2-16/h3-12,15-16,26,31-32H,1-2,13-14H2,(H2,28,29,30)
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0.800n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222918
PNG
(4'-(5-phenylamino-2H-pyrazol-3-yl)-biphenyl-2,4-di...)
Show SMILES Oc1ccc(c(O)c1)-c1ccc(cc1)-c1cc(Nc2ccccc2)[nH]n1
Show InChI InChI=1S/C21H17N3O2/c25-17-10-11-18(20(26)12-17)14-6-8-15(9-7-14)19-13-21(24-23-19)22-16-4-2-1-3-5-16/h1-13,25-26H,(H2,22,23,24)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50032651
PNG
(1-((1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-y...)
Show SMILES C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CC1)c1ccccc1
Show InChI InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1
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4.60n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344250
PNG
(CHEMBL1779003 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)c1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-9-15(19)6-7-17(18)14-8-13(10-20-12-14)11-21-16-4-2-3-5-16/h6-10,12,16,21H,2-5,11H2,1H3
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12n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344232
PNG
(1-cyclopropyl-N-((6-(4-fluoro-2-methoxyphenyl)pyra...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-16-6-12(17)4-5-14(16)15-10-19-9-13(20-15)8-18-7-11-2-3-11/h4-6,9-11,18H,2-3,7-8H2,1H3
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27n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344251
PNG
(CHEMBL1779004 | N-((4'-fluoro-2'-methoxybiphenyl-3...)
Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)c1
Show InChI InChI=1S/C19H22FNO/c1-22-19-12-16(20)9-10-18(19)15-6-4-5-14(11-15)13-21-17-7-2-3-8-17/h4-6,9-12,17,21H,2-3,7-8,13H2,1H3
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48n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344233
PNG
(CHEMBL1778866 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
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53n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344234
PNG
(CHEMBL1778867 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3
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54n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344252
PNG
(CHEMBL1779005 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cccc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-13(19)9-10-16(18)17-8-4-7-15(21-17)12-20-14-5-2-3-6-14/h4,7-11,14,20H,2-3,5-6,12H2,1H3
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66n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344259
PNG
(CHEMBL1779012 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2cnccn2)c1
Show InChI InChI=1S/C18H15FN4O2/c1-25-17-7-14(19)2-3-15(17)13-6-12(8-21-10-13)9-23-18(24)16-11-20-4-5-22-16/h2-8,10-11H,9H2,1H3,(H,23,24)
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80n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344254
PNG
(CHEMBL1779007 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CCCCC2)c1
Show InChI InChI=1S/C19H23FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-14(11-21-13-15)12-22-17-5-3-2-4-6-17/h7-11,13,17,22H,2-6,12H2,1H3
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112n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344260
PNG
(CHEMBL1779013 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccn2)c1
Show InChI InChI=1S/C19H16FN3O2/c1-25-18-9-15(20)5-6-16(18)14-8-13(10-21-12-14)11-23-19(24)17-4-2-3-7-22-17/h2-10,12H,11H2,1H3,(H,23,24)
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116n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344241
PNG
(CHEMBL1778994 | N-((6-(2,3-difluorophenyl)pyrazin-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CCC2)n1
Show InChI InChI=1S/C15H15F2N3/c16-13-6-2-5-12(15(13)17)14-9-18-7-11(20-14)8-19-10-3-1-4-10/h2,5-7,9-10,19H,1,3-4,8H2
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186n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344235
PNG
(CHEMBL1778868 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COCCNCc1cncc(n1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C15H18FN3O2/c1-20-6-5-17-8-12-9-18-10-14(19-12)13-4-3-11(16)7-15(13)21-2/h3-4,7,9-10,17H,5-6,8H2,1-2H3
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214n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344236
PNG
(CHEMBL1778869 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCC(C)C)n1
Show InChI InChI=1S/C16H20FN3O/c1-11(2)7-18-8-13-9-19-10-15(20-13)14-5-4-12(17)6-16(14)21-3/h4-6,9-11,18H,7-8H2,1-3H3
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217n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344237
PNG
(CHEMBL1778870 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES CCNCc1cncc(n1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C14H16FN3O/c1-3-16-7-11-8-17-9-13(18-11)12-5-4-10(15)6-14(12)19-2/h4-6,8-9,16H,3,7H2,1-2H3
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255n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344255
PNG
(CHEMBL1779008 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(C)C)c1
Show InChI InChI=1S/C16H19FN2O/c1-11(2)19-9-12-6-13(10-18-8-12)15-5-4-14(17)7-16(15)20-3/h4-8,10-11,19H,9H2,1-3H3
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266n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344262
PNG
(CHEMBL1779015 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N2CCCC2)c1
Show InChI InChI=1S/C18H20FN3O2/c1-24-17-9-15(19)4-5-16(17)14-8-13(10-20-12-14)11-21-18(23)22-6-2-3-7-22/h4-5,8-10,12H,2-3,6-7,11H2,1H3,(H,21,23)
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268n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50222922
PNG
(3-(1H-benzo[d]imidazol-2-yl)-N-(4-hydroxyphenyl)-1...)
Show SMILES Oc1ccc(NC(=O)c2ccc3c(n[nH]c3c2)-c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C21H15N5O2/c27-14-8-6-13(7-9-14)22-21(28)12-5-10-15-18(11-12)25-26-19(15)20-23-16-3-1-2-4-17(16)24-20/h1-11,27H,(H,22,28)(H,23,24)(H,25,26)
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301n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human CHK1 expressed in baculovirus/insect cell system


J Med Chem 50: 5253-6 (2007)


Article DOI: 10.1021/jm0704604
BindingDB Entry DOI: 10.7270/Q2K0754D
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344264
PNG
(CHEMBL1779016 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
Show InChI InChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
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340n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344242
PNG
(1-cyclopropyl-N-((6-(2,3-difluorophenyl)pyrazin-2-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C15H15F2N3/c16-13-3-1-2-12(15(13)17)14-9-19-8-11(20-14)7-18-6-10-4-5-10/h1-3,8-10,18H,4-7H2
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341n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344265
PNG
(3-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methy...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)N(C)C)c1
Show InChI InChI=1S/C16H18FN3O2/c1-20(2)16(21)19-9-11-6-12(10-18-8-11)14-5-4-13(17)7-15(14)22-3/h4-8,10H,9H2,1-3H3,(H,19,21)
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420n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344238
PNG
(CHEMBL1778991 | N-((6-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3
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429n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344256
PNG
(3-(4-fluoro-2-methoxyphenyl)-5-(pyrrolidin-2-yl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(c1)C1CCCN1
Show InChI InChI=1S/C16H17FN2O/c1-20-16-8-13(17)4-5-14(16)11-7-12(10-18-9-11)15-3-2-6-19-15/h4-5,7-10,15,19H,2-3,6H2,1H3
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440n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344261
PNG
(CHEMBL1779014 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)c2ccccc2)c1
Show InChI InChI=1S/C20H17FN2O2/c1-25-19-10-17(21)7-8-18(19)16-9-14(11-22-13-16)12-23-20(24)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,23,24)
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450n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344257
PNG
(CHEMBL1779010 | N-benzyl-5-(4-fluoro-2-methoxyphen...)
Show SMILES COc1cc(F)ccc1-c1cncc(NCc2ccccc2)c1
Show InChI InChI=1S/C19H17FN2O/c1-23-19-10-16(20)7-8-18(19)15-9-17(13-21-12-15)22-11-14-5-3-2-4-6-14/h2-10,12-13,22H,11H2,1H3
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457n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344266
PNG
(CHEMBL1779018 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES CCCC(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
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468n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344267
PNG
(CHEMBL1779019 | N-((5-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC(=O)C2CC2)c1
Show InChI InChI=1S/C17H17FN2O2/c1-22-16-7-14(18)4-5-15(16)13-6-11(8-19-10-13)9-20-17(21)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,20,21)
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595n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344244
PNG
(1-cyclopropyl-N-((6-(2-fluoro-3-methoxyphenyl)pyra...)
Show SMILES COc1cccc(c1F)-c1cncc(CNCC2CC2)n1
Show InChI InChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3
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602n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344239
PNG
((S)-1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNC[C@@H]2CCCO2)n1 |r|
Show InChI InChI=1S/C17H20FN3O2/c1-22-17-7-12(18)4-5-15(17)16-11-20-9-13(21-16)8-19-10-14-3-2-6-23-14/h4-5,7,9,11,14,19H,2-3,6,8,10H2,1H3/t14-/m0/s1
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610n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344258
PNG
(5-(4-fluoro-2-methoxyphenyl)-N-(tetrahydro-2H-pyra...)
Show SMILES COc1cc(F)ccc1-c1cncc(NC2CCCOC2)c1
Show InChI InChI=1S/C17H19FN2O2/c1-21-17-8-13(18)4-5-16(17)12-7-15(10-19-9-12)20-14-3-2-6-22-11-14/h4-5,7-10,14,20H,2-3,6,11H2,1H3
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705n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344268
PNG
(CHEMBL1779020 | ethyl 2-((5-(4-fluoro-2-methoxyphe...)
Show SMILES CCOC(=O)C(=O)NCc1cncc(c1)-c1ccc(F)cc1OC
Show InChI InChI=1S/C17H17FN2O4/c1-3-24-17(22)16(21)20-9-11-6-12(10-19-8-11)14-5-4-13(18)7-15(14)23-2/h4-8,10H,3,9H2,1-2H3,(H,20,21)
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778n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344246
PNG
(3-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...)
Show SMILES N#Cc1cccc(c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H18N4/c18-9-13-4-3-5-14(8-13)17-12-19-10-16(21-17)11-20-15-6-1-2-7-15/h3-5,8,10,12,15,20H,1-2,6-7,11H2
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1.55E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344247
PNG
(4-(6-((cyclopentylamino)methyl)pyrazin-2-yl)benzon...)
Show SMILES N#Cc1ccc(cc1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C17H18N4/c18-9-13-5-7-14(8-6-13)17-12-19-10-16(21-17)11-20-15-3-1-2-4-15/h5-8,10,12,15,20H,1-4,11H2
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1.57E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344248
PNG
(CHEMBL1779001 | N-((6-(2,4-dimethoxyphenyl)pyrazin...)
Show SMILES COc1ccc(c(OC)c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H23N3O2/c1-22-15-7-8-16(18(9-15)23-2)17-12-19-10-14(21-17)11-20-13-5-3-4-6-13/h7-10,12-13,20H,3-6,11H2,1-2H3
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UniChem
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1.69E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344243
PNG
(CHEMBL1778996 | N-((6-(2,3-difluorophenyl)pyrazin-...)
Show SMILES Fc1cccc(c1F)-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C14H13F2N3/c15-12-3-1-2-11(14(12)16)13-8-17-6-10(19-13)7-18-9-4-5-9/h1-3,6,8-9,18H,4-5,7H2
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2.98E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344240
PNG
(1-(6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl)-N-(py...)
Show SMILES COc1cc(F)ccc1-c1cncc(CNCc2ccccn2)n1
Show InChI InChI=1S/C18H17FN4O/c1-24-18-8-13(19)5-6-16(18)17-12-21-11-15(23-17)10-20-9-14-4-2-3-7-22-14/h2-8,11-12,20H,9-10H2,1H3
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3.57E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344245
PNG
(CHEMBL1778998 | N-((6-(2-fluoro-3-methoxyphenyl)py...)
Show SMILES COc1cccc(c1F)-c1cncc(CNC2CC2)n1
Show InChI InChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3
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5.70E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344253
PNG
(CHEMBL1779006 | N-((2-(4-fluoro-2-methoxyphenyl)py...)
Show SMILES COc1cc(F)ccc1-c1cc(CNC2CCCC2)ccn1
Show InChI InChI=1S/C18H21FN2O/c1-22-18-11-14(19)6-7-16(18)17-10-13(8-9-20-17)12-21-15-4-2-3-5-15/h6-11,15,21H,2-5,12H2,1H3
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8.90E+3n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50344249
PNG
(CHEMBL1779002 | N-(3-(6-((cyclopentylamino)methyl)...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cncc(CNC2CCCC2)n1
Show InChI InChI=1S/C18H22N4O/c1-13(23)21-16-8-4-5-14(9-16)18-12-19-10-17(22-18)11-20-15-6-2-3-7-15/h4-5,8-10,12,15,20H,2-3,6-7,11H2,1H3,(H,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
α-glucosidase


(Saccharomyces cerevisiae S288c (Baker's yeast))
BDBM50203367
PNG
(CHEMBL3891396)
Show SMILES CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(Br)c2)nn1
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1.48E+4n/an/an/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bakers yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by Lineweaver-Burk plot analysi...


Bioorg Med Chem Lett 26: 5719-5723 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.057
BindingDB Entry DOI: 10.7270/Q2SF2Z4C
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor


(Homo sapiens (Human))
BDBM50344263
PNG
((+)-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]he...)
Show SMILES C[C@]12N[C@H](Cc3ccccc13)c1ccccc21 |r|
Show InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16/h2-9,15,17H,10H2,1H3/t15-,16+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at NR2A transfected in oocytes


Bioorg Med Chem Lett 21: 3399-403 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.117
BindingDB Entry DOI: 10.7270/Q29887BK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 8


(Homo sapiens (Human))
BDBM50027664
PNG
(CHEMBL3338404)
Show SMILES ONC(=O)c1ccc2CCN(Cc3ccc(o3)-c3cccc(c3)[N+]([O-])=O)Cc2c1
Show InChI InChI=1S/C21H19N3O5/c25-21(22-26)16-5-4-14-8-9-23(12-17(14)10-16)13-19-6-7-20(29-19)15-2-1-3-18(11-15)24(27)28/h1-7,10-11,26H,8-9,12-13H2,(H,22,25)
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Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of HDAC8 (unknown origin) using fluorogenic peptide as substrate by fluorescence assay


J Med Chem 57: 8026-34 (2014)


Article DOI: 10.1021/jm5008962
BindingDB Entry DOI: 10.7270/Q29C700V
More data for this
Ligand-Target Pair
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