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Compile Data Set for Download or QSAR

Found 658 hits with Last Name = 'honma' and Initial = 't'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031962
PNG
(3-(5,7-Dimethyl-2-propyl-imidazo[4,5-b]pyridin-3-y...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C28H25N7O/c1-4-7-24-30-25-16(2)12-17(3)29-28(25)35(24)15-18-10-11-21-22(13-18)26(36)20-9-6-5-8-19(20)14-23(21)27-31-33-34-32-27/h5-6,8-14H,4,7,15H2,1-3H3,(H,31,32,33,34)
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0.290n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031954
PNG
(3-(2-Cyclopropyl-5,7-dimethyl-imidazo[4,5-b]pyridi...)
Show SMILES Cc1cc(C)c2nc(C3CC3)n(Cc3ccc4c(cc5ccccc5c(=O)c4c3)-c3nnn[nH]3)c2n1
Show InChI InChI=1S/C28H23N7O/c1-15-11-16(2)29-28-24(15)30-27(18-8-9-18)35(28)14-17-7-10-21-22(12-17)25(36)20-6-4-3-5-19(20)13-23(21)26-31-33-34-32-26/h3-7,10-13,18H,8-9,14H2,1-2H3,(H,31,32,33,34)
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0.450n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031953
PNG
(3-(2-Ethyl-6-methoxy-[1,5]naphthyridin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2nc(OC)ccc2n1
Show InChI InChI=1S/C28H22N6O3/c1-3-18-14-24(26-23(29-18)10-11-25(30-26)36-2)37-15-16-8-9-20-21(12-16)27(35)19-7-5-4-6-17(19)13-22(20)28-31-33-34-32-28/h4-14H,3,15H2,1-2H3,(H,31,32,33,34)
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0.480n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031957
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-5H-...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Cc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C28H27N7/c1-4-7-25-30-26-17(2)12-18(3)29-28(26)35(25)16-19-10-11-23-22(13-19)14-20-8-5-6-9-21(20)15-24(23)27-31-33-34-32-27/h5-6,8-13,15H,4,7,14,16H2,1-3H3,(H,31,32,33,34)
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0.490n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031960
PNG
(3-(2-Ethyl-quinolin-4-yloxymethyl)-11-(1H-tetrazol...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C28H21N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-15H,2,16H2,1H3,(H,30,31,32,33)
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0.650n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031961
PNG
(3-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-yl...)
Show SMILES CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N7O/c1-4-23-29-24-15(2)11-16(3)28-27(24)34(23)14-17-9-10-20-21(12-17)25(35)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,30,31,32,33)
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0.660n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031955
PNG
(5,7-Dimethyl-2-propyl-3-[11-(1H-tetrazol-5-yl)-dib...)
Show SMILES CCCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:30|
Show InChI InChI=1S/C27H25N7O/c1-4-7-24-29-25-16(2)12-17(3)28-27(25)34(24)15-18-10-11-20-21(26-30-32-33-31-26)14-19-8-5-6-9-22(19)35-23(20)13-18/h5-6,8-14H,4,7,15H2,1-3H3,(H,30,31,32,33)
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0.700n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031964
PNG
(3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-me...)
Show SMILES CCc1cc(NCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)n2nccc2n1
Show InChI InChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
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1.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031956
PNG
(3-(2-Ethyl-5,6,7,8-tetrahydro-quinolin-4-yloxymeth...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C28H25N5O2/c1-2-19-15-26(22-9-5-6-10-25(22)29-19)35-16-17-11-12-21-23(13-17)27(34)20-8-4-3-7-18(20)14-24(21)28-30-32-33-31-28/h3-4,7-8,11-15H,2,5-6,9-10,16H2,1H3,(H,30,31,32,33)
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1.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031959
PNG
(2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H...)
Show SMILES CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21ClN6O3/c1-2-3-8-20-27-23(26)21(25(34)35)32(20)13-14-9-10-17-18(11-14)22(33)16-7-5-4-6-15(16)12-19(17)24-28-30-31-29-24/h4-7,9-12H,2-3,8,13H2,1H3,(H,34,35)(H,28,29,30,31)
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2.10n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031965
PNG
(2-Ethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo[...)
Show SMILES CCc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2cc(ccc2n1)C(O)=O
Show InChI InChI=1S/C29H21N5O4/c1-2-19-14-26(24-13-18(29(36)37)8-10-25(24)30-19)38-15-16-7-9-21-22(11-16)27(35)20-6-4-3-5-17(20)12-23(21)28-31-33-34-32-28/h3-14H,2,15H2,1H3,(H,36,37)(H,31,32,33,34)
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2.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031966
PNG
(2-Ethoxy-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dibenzo...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H20N6O4/c1-2-37-27-28-22-9-5-8-19(26(35)36)23(22)33(27)14-15-10-11-18-20(12-15)24(34)17-7-4-3-6-16(17)13-21(18)25-29-31-32-30-25/h3-13H,2,14H2,1H3,(H,35,36)(H,29,30,31,32)
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2.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031950
PNG
(2,6-Dimethyl-4-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...)
Show SMILES CCOC(=O)c1c(C)nc(C)cc1NCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H24N6O3/c1-4-36-27(35)24-16(3)29-15(2)11-23(24)28-14-17-9-10-20-21(12-17)25(34)19-8-6-5-7-18(19)13-22(20)26-30-32-33-31-26/h5-13H,4,14H2,1-3H3,(H,28,29)(H,30,31,32,33)
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2.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220612
PNG
(3-amino-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)m...)
Show SMILES Nc1[nH]ncc1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:10.10,13.14,(18.38,-36.74,;18.71,-38.24,;17.68,-39.39,;18.45,-40.72,;19.96,-40.4,;20.12,-38.87,;21.45,-38.09,;21.44,-36.55,;22.78,-38.86,;24.11,-38.08,;25.45,-38.85,;25.45,-40.39,;26.78,-41.15,;28.11,-40.39,;29.44,-41.16,;30.77,-40.39,;32.11,-41.17,;33.44,-40.4,;34.77,-41.17,;36.11,-40.41,;36.11,-38.86,;34.77,-38.09,;33.44,-38.86,;28.11,-38.85,;26.78,-38.07,)|
Show InChI InChI=1S/C19H26N4O2/c20-18-17(13-22-23-18)19(24)21-12-15-8-6-14(7-9-15)10-11-25-16-4-2-1-3-5-16/h1-5,13-15H,6-12H2,(H,21,24)(H3,20,22,23)/t14-,15+
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3.70n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031951
PNG
(2-Ethoxy-3-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxep...)
Show SMILES CCOc1nc2cccc(C(O)=O)c2n1Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1 |c:31|
Show InChI InChI=1S/C26H20N6O4/c1-2-35-26-27-20-8-5-7-18(25(33)34)23(20)32(26)14-15-10-11-17-19(24-28-30-31-29-24)13-16-6-3-4-9-21(16)36-22(17)12-15/h3-13H,2,14H2,1H3,(H,33,34)(H,28,29,30,31)
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3.90n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220606
PNG
(CHEMBL249093 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(17.52,-15.71,;17.53,-17.25,;18.86,-18.01,;20.19,-17.24,;21.53,-18.01,;21.53,-19.55,;22.86,-20.31,;24.19,-19.55,;25.52,-20.32,;26.85,-19.55,;28.19,-20.32,;29.52,-19.55,;30.85,-20.33,;32.19,-19.56,;32.19,-18.02,;30.85,-17.25,;29.52,-18.02,;24.19,-18.01,;22.86,-17.23,;16.2,-18.02,;14.79,-17.4,;13.76,-18.55,;14.53,-19.88,;16.04,-19.55,)|
Show InChI InChI=1S/C19H25N3O2/c23-19(17-13-21-22-14-17)20-12-16-8-6-15(7-9-16)10-11-24-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,20,23)(H,21,22)/t15-,16+
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4.20n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031949
PNG
(3-(2-Methyl-5,6,7,8-tetrahydro-quinolin-4-yloxymet...)
Show SMILES Cc1cc(OCc2ccc3c(cc4ccccc4c(=O)c3c2)-c2nnn[nH]2)c2CCCCc2n1
Show InChI InChI=1S/C27H23N5O2/c1-16-12-25(21-8-4-5-9-24(21)28-16)34-15-17-10-11-20-22(13-17)26(33)19-7-3-2-6-18(19)14-23(20)27-29-31-32-30-27/h2-3,6-7,10-14H,4-5,8-9,15H2,1H3,(H,29,30,31,32)
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4.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031963
PNG
(2,6-Dimethyl-4-[5-oxo-11-(1H-tetrazol-5-yl)-5H-dib...)
Show SMILES CCOC(=O)c1c(C)nc(C)cc1OCc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C27H23N5O4/c1-4-35-27(34)24-16(3)28-15(2)11-23(24)36-14-17-9-10-20-21(12-17)25(33)19-8-6-5-7-18(19)13-22(20)26-29-31-32-30-26/h5-13H,4,14H2,1-3H3,(H,29,30,31,32)
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4.30n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220592
PNG
(CHEMBL248875 | N-(3-phenethoxybenzyl)-4-hydroxyben...)
Show SMILES Oc1ccc(cc1)C(=O)NCc1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C22H21NO3/c24-20-11-9-19(10-12-20)22(25)23-16-18-7-4-8-21(15-18)26-14-13-17-5-2-1-3-6-17/h1-12,15,24H,13-14,16H2,(H,23,25)
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5.60n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220611
PNG
(6-hydroxy-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(20.2,-34.76,;20.2,-36.3,;21.54,-37.06,;22.87,-36.29,;24.2,-37.05,;24.2,-38.59,;25.53,-39.36,;26.86,-38.59,;28.2,-39.37,;29.53,-38.6,;30.86,-39.37,;32.2,-38.6,;33.53,-39.38,;34.86,-38.61,;34.87,-37.07,;33.53,-36.3,;32.2,-37.07,;26.86,-37.05,;25.53,-36.28,;18.87,-37.07,;17.54,-36.3,;16.2,-37.07,;16.21,-38.61,;14.88,-39.39,;17.55,-39.38,;18.88,-38.6,)|
Show InChI InChI=1S/C20H25N3O3/c24-19-11-10-18(22-23-19)20(25)21-14-16-8-6-15(7-9-16)12-13-26-17-4-2-1-3-5-17/h1-5,10-11,15-16H,6-9,12-14H2,(H,21,25)(H,23,24)/t15-,16+
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5.60n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220608
PNG
(2-oxo-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)met...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:7.7,4.3,(21.1,-26.08,;21.1,-27.62,;22.44,-28.39,;23.77,-27.62,;25.11,-28.38,;25.11,-29.92,;26.44,-30.68,;27.76,-29.92,;29.1,-30.69,;30.43,-29.92,;31.76,-30.7,;33.1,-29.93,;34.43,-30.7,;35.77,-29.94,;35.77,-28.4,;34.43,-27.62,;33.1,-28.4,;27.76,-28.38,;26.44,-27.6,;19.77,-28.39,;19.78,-29.93,;18.46,-30.7,;17.11,-29.94,;15.78,-30.71,;14.45,-29.94,;13.11,-30.71,;14.45,-28.4,;15.78,-27.63,;17.11,-28.4,;18.44,-27.62,)|
Show InChI InChI=1S/C25H30N2O3/c28-24-13-11-20-16-21(10-12-23(20)27-24)25(29)26-17-19-8-6-18(7-9-19)14-15-30-22-4-2-1-3-5-22/h1-5,10,12,16,18-19H,6-9,11,13-15,17H2,(H,26,29)(H,27,28)/t18-,19+
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5.90n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220602
PNG
(CHEMBL249307 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(16.39,-6.18,;16.39,-7.72,;17.73,-8.49,;19.06,-7.71,;20.39,-8.48,;20.39,-10.02,;21.72,-10.78,;23.05,-10.02,;24.38,-10.79,;25.72,-10.02,;27.05,-10.79,;28.39,-10.03,;29.72,-10.8,;31.05,-10.03,;31.06,-8.49,;29.71,-7.72,;28.39,-8.49,;23.05,-8.48,;21.72,-7.7,;15.06,-8.49,;13.65,-7.87,;12.62,-9.02,;13.4,-10.35,;14.9,-10.03,)|
Show InChI InChI=1S/C20H26N2O2/c23-20(18-10-12-21-15-18)22-14-17-8-6-16(7-9-17)11-13-24-19-4-2-1-3-5-19/h1-5,10,12,15-17,21H,6-9,11,13-14H2,(H,22,23)/t16-,17+
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6.80n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220603
PNG
(4-hydroxy-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-9.26,-9.14,;-7.93,-8.36,;-7.94,-6.82,;-6.61,-6.05,;-5.27,-6.82,;-5.26,-8.35,;-6.59,-9.13,;-3.94,-6.05,;-3.95,-4.51,;-2.61,-6.81,;-1.27,-6.04,;.06,-6.81,;1.39,-6.03,;2.72,-6.81,;2.72,-8.35,;4.05,-9.12,;5.39,-8.35,;6.72,-9.12,;6.71,-10.66,;8.04,-11.43,;9.38,-10.66,;9.38,-9.11,;8.05,-8.35,;1.39,-9.11,;.06,-8.35,)|
Show InChI InChI=1S/C21H25NO3/c23-19-12-10-18(11-13-19)21(24)22-14-16-6-8-17(9-7-16)15-25-20-4-2-1-3-5-20/h1-5,10-13,16-17,23H,6-9,14-15H2,(H,22,24)/t16-,17+
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6.80n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220595
PNG
(3,5-difluoro-4-hydroxy-N-(((1s,4s)-4-(2-phenoxyeth...)
Show SMILES Oc1c(F)cc(cc1F)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:13.13,16.17,(13.63,-21.21,;14.96,-20.43,;14.96,-18.89,;13.62,-18.13,;16.29,-18.12,;17.63,-18.89,;17.63,-20.42,;16.31,-21.2,;16.32,-22.74,;18.96,-18.12,;18.95,-16.58,;20.29,-18.88,;21.62,-18.11,;22.96,-18.88,;22.96,-20.42,;24.29,-21.18,;25.62,-20.42,;26.95,-21.19,;28.29,-20.42,;29.62,-21.19,;30.95,-20.42,;32.29,-21.2,;33.62,-20.43,;33.62,-18.89,;32.28,-18.12,;30.95,-18.89,;25.62,-18.88,;24.29,-18.1,)|
Show InChI InChI=1S/C22H25F2NO3/c23-19-12-17(13-20(24)21(19)26)22(27)25-14-16-8-6-15(7-9-16)10-11-28-18-4-2-1-3-5-18/h1-5,12-13,15-16,26H,6-11,14H2,(H,25,27)/t15-,16+
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8.5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031952
PNG
((S)-3-Methyl-2-{[5-oxo-11-(1H-tetrazol-5-yl)-5H-di...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1)[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C27H29N5O4/c1-4-5-10-23(33)32(24(16(2)3)27(35)36)15-17-11-12-20-21(13-17)25(34)19-9-7-6-8-18(19)14-22(20)26-28-30-31-29-26/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,35,36)(H,28,29,30,31)/t24-/m0/s1
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8.70n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220591
PNG
(CHEMBL249909 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(17.4,-25.44,;17.41,-26.98,;18.74,-27.74,;20.08,-26.97,;21.41,-27.74,;21.41,-29.28,;22.74,-30.04,;24.07,-29.28,;25.4,-30.05,;26.74,-29.28,;28.07,-30.05,;29.41,-29.28,;30.74,-30.06,;32.07,-29.29,;32.08,-27.75,;30.73,-26.98,;29.4,-27.75,;24.07,-27.74,;22.74,-26.96,;16.08,-27.75,;14.67,-27.13,;13.64,-28.28,;14.42,-29.61,;15.92,-29.28,)|
Show InChI InChI=1S/C19H25N3O2/c23-19(18-10-12-21-22-18)20-14-16-8-6-15(7-9-16)11-13-24-17-4-2-1-3-5-17/h1-5,10,12,15-16H,6-9,11,13-14H2,(H,20,23)(H,21,22)/t15-,16+
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8.90n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031958
PNG
((S)-3-Methyl-2-{pentanoyl-[11-(1H-tetrazol-5-yl)-d...)
Show SMILES CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O |c:21|
Show InChI InChI=1S/C26H29N5O4/c1-4-5-10-23(32)31(24(16(2)3)26(33)34)15-17-11-12-19-20(25-27-29-30-28-25)14-18-8-6-7-9-21(18)35-22(19)13-17/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,33,34)(H,27,28,29,30)/t24-/m0/s1
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9.60n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220598
PNG
(6-oxo-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl)met...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)C1NNC(=O)C=C1 |w:19.20,wU:4.3,7.7,c:26,(18.91,-43.44,;18.92,-44.98,;20.25,-45.74,;21.59,-44.97,;22.92,-45.73,;22.92,-47.27,;24.25,-48.04,;25.58,-47.27,;26.91,-48.05,;28.25,-47.28,;29.58,-48.05,;30.91,-47.28,;32.25,-48.06,;33.58,-47.29,;33.58,-45.75,;32.24,-44.98,;30.91,-45.75,;25.58,-45.73,;24.25,-44.96,;17.59,-45.75,;17.6,-47.29,;16.26,-48.06,;14.92,-47.29,;13.59,-48.05,;14.92,-45.75,;16.25,-44.98,)|
Show InChI InChI=1S/C20H27N3O3/c24-19-11-10-18(22-23-19)20(25)21-14-16-8-6-15(7-9-16)12-13-26-17-4-2-1-3-5-17/h1-5,10-11,15-16,18,22H,6-9,12-14H2,(H,21,25)(H,23,24)/t15-,16+,18?
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220599
PNG
(3,5-difluoro-4-hydroxy-N-(((1s,4s)-4-(phenoxymethy...)
Show SMILES Oc1c(F)cc(cc1F)C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:13.13,16.17,(-9.57,-19.5,;-8.24,-18.72,;-8.24,-17.18,;-9.58,-16.42,;-6.91,-16.41,;-5.57,-17.18,;-5.57,-18.71,;-6.89,-19.49,;-6.88,-21.03,;-4.24,-16.41,;-4.25,-14.87,;-2.91,-17.17,;-1.58,-16.4,;-.24,-17.17,;1.09,-16.39,;2.42,-17.17,;2.42,-18.71,;3.75,-19.48,;5.08,-18.71,;6.42,-19.48,;6.41,-21.02,;7.74,-21.79,;9.08,-21.02,;9.07,-19.47,;7.74,-18.71,;1.09,-19.47,;-.24,-18.71,)|
Show InChI InChI=1S/C21H23F2NO3/c22-18-10-16(11-19(23)20(18)25)21(26)24-12-14-6-8-15(9-7-14)13-27-17-4-2-1-3-5-17/h1-5,10-11,14-15,25H,6-9,12-13H2,(H,24,26)/t14-,15+
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12n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50031948
PNG
(2-Butyl-5-chloro-3-[5-oxo-11-(1H-tetrazol-5-yl)-5H...)
Show SMILES CCCCc1nc(Cl)c(C=O)n1Cc1ccc2c(cc3ccccc3c(=O)c2c1)-c1nnn[nH]1
Show InChI InChI=1S/C25H21ClN6O2/c1-2-3-8-22-27-24(26)21(14-33)32(22)13-15-9-10-18-19(11-15)23(34)17-7-5-4-6-16(17)12-20(18)25-28-30-31-29-25/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,28,29,30,31)
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12n/an/an/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AII binding to COS cells transfected with a cDNA encoding human Angiotensin II receptor, type 1


J Med Chem 38: 2728-41 (1995)


BindingDB Entry DOI: 10.7270/Q23B5Z5Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220610
PNG
(CHEMBL250108 | N-(((1s,4s)-4-(phenoxymethyl)cycloh...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cn[nH]c1 |wU:4.3,7.7,(-4.35,-14.31,;-4.35,-15.85,;-3.01,-16.61,;-1.68,-15.84,;-.34,-16.61,;.99,-15.83,;2.32,-16.61,;2.32,-18.15,;3.65,-18.92,;4.98,-18.15,;6.32,-18.92,;6.31,-20.46,;7.64,-21.23,;8.98,-20.46,;8.97,-18.91,;7.64,-18.15,;.99,-18.91,;-.34,-18.15,;-5.68,-16.62,;-7.09,-16,;-8.12,-17.14,;-7.35,-18.47,;-5.84,-18.15,)|
Show InChI InChI=1S/C18H23N3O2/c22-18(16-11-20-21-12-16)19-10-14-6-8-15(9-7-14)13-23-17-4-2-1-3-5-17/h1-5,11-12,14-15H,6-10,13H2,(H,19,22)(H,20,21)/t14-,15+
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14n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220597
PNG
(CHEMBL398356 | N-(((1s,4s)-4-(2-phenoxyethyl)cyclo...)
Show SMILES O=C(NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1)c1ccc2[nH]ncc2c1 |wU:4.3,7.7,(-1.62,4.65,;-1.62,3.11,;-.28,2.35,;1.05,3.12,;2.39,2.36,;2.39,.82,;3.72,.05,;5.05,.82,;6.38,.04,;7.71,.81,;9.05,.04,;10.38,.81,;11.71,.03,;13.05,.8,;13.05,2.34,;11.71,3.11,;10.38,2.34,;5.05,2.36,;3.72,3.13,;-2.95,2.34,;-2.94,.81,;-4.26,.03,;-5.61,.8,;-7.08,.33,;-7.99,1.58,;-7.07,2.83,;-5.6,2.35,;-4.28,3.11,)|
Show InChI InChI=1S/C23H27N3O2/c27-23(19-10-11-22-20(14-19)16-25-26-22)24-15-18-8-6-17(7-9-18)12-13-28-21-4-2-1-3-5-21/h1-5,10-11,14,16-18H,6-9,12-13,15H2,(H,24,27)(H,25,26)/t17-,18+
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220601
PNG
(CHEMBL400917 | N-benzyl-3-{[(4-hydroxybenzoyl)amin...)
Show SMILES Oc1ccc(cc1)C(=O)NCc1cccc(c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C22H20N2O3/c25-20-11-9-18(10-12-20)21(26)24-15-17-7-4-8-19(13-17)22(27)23-14-16-5-2-1-3-6-16/h1-13,25H,14-15H2,(H,23,27)(H,24,26)
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15n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220607
PNG
(2-oxo-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)meth...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc2NC(=O)CCc2c1 |wU:4.3,7.7,(-2.62,-24.66,;-2.61,-26.2,;-1.28,-26.97,;.06,-26.19,;1.39,-26.96,;2.72,-26.18,;4.05,-26.96,;4.05,-28.5,;5.38,-29.27,;6.72,-28.5,;8.05,-29.27,;8.04,-30.81,;9.37,-31.58,;10.71,-30.81,;10.71,-29.27,;9.38,-28.5,;2.72,-29.26,;1.39,-28.5,;-3.94,-26.97,;-3.93,-28.5,;-5.26,-29.28,;-6.6,-28.52,;-7.93,-29.3,;-9.27,-28.53,;-10.6,-29.31,;-9.28,-26.99,;-7.94,-26.22,;-6.61,-26.97,;-5.28,-26.2,)|
Show InChI InChI=1S/C24H28N2O3/c27-23-13-11-19-14-20(10-12-22(19)26-23)24(28)25-15-17-6-8-18(9-7-17)16-29-21-4-2-1-3-5-21/h1-5,10,12,14,17-18H,6-9,11,13,15-16H2,(H,25,28)(H,26,27)/t17-,18+
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18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220590
PNG
(4-hydroxy-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohexyl...)
Show SMILES Oc1ccc(cc1)C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(12.9,-11.25,;14.23,-10.47,;14.23,-8.93,;15.56,-8.16,;16.89,-8.93,;16.9,-10.46,;15.58,-11.24,;18.23,-8.16,;18.22,-6.62,;19.56,-8.92,;20.89,-8.15,;22.23,-8.91,;22.23,-10.45,;23.56,-11.22,;24.89,-10.45,;26.22,-11.23,;27.55,-10.46,;28.89,-11.23,;30.22,-10.46,;31.55,-11.24,;32.89,-10.47,;32.89,-8.93,;31.55,-8.16,;30.22,-8.93,;24.89,-8.91,;23.56,-8.14,)|
Show InChI InChI=1S/C22H27NO3/c24-20-12-10-19(11-13-20)22(25)23-16-18-8-6-17(7-9-18)14-15-26-21-4-2-1-3-5-21/h1-5,10-13,17-18,24H,6-9,14-16H2,(H,23,25)/t17-,18+
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20n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220600
PNG
(CHEMBL398357 | N-(((1s,4s)-4-(phenoxymethyl)cycloh...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cc[nH]c1 |wU:4.3,7.7,(-3.78,-5.13,;-3.78,-6.67,;-2.44,-7.44,;-1.11,-6.66,;.23,-7.43,;1.55,-6.65,;2.88,-7.43,;2.88,-8.97,;4.22,-9.74,;5.55,-8.97,;6.88,-9.74,;6.88,-11.28,;8.21,-12.05,;9.54,-11.28,;9.54,-9.74,;8.21,-8.97,;1.55,-9.73,;.23,-8.97,;-5.12,-7.44,;-6.52,-6.82,;-7.55,-7.97,;-6.78,-9.3,;-5.27,-8.97,)|
Show InChI InChI=1S/C19H24N2O2/c22-19(17-10-11-20-13-17)21-12-15-6-8-16(9-7-15)14-23-18-4-2-1-3-5-18/h1-5,10-11,13,15-16,20H,6-9,12,14H2,(H,21,22)/t15-,16+
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84n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220594
PNG
(3,5-dimethyl-N-(((1s,4s)-4-(phenoxymethyl)cyclohex...)
Show SMILES Cc1n[nH]c(C)c1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:11.11,14.15,(-5.39,-42.57,;-5.07,-44.07,;-6.1,-45.22,;-5.32,-46.55,;-3.82,-46.23,;-2.67,-47.25,;-3.66,-44.7,;-2.32,-43.93,;-2.33,-42.39,;-.99,-44.69,;.34,-43.92,;1.68,-44.68,;3.01,-43.91,;4.34,-44.68,;4.34,-46.22,;5.67,-47,;7.01,-46.23,;8.34,-47,;8.33,-48.54,;9.66,-49.31,;11,-48.54,;11,-46.99,;9.66,-46.23,;3.01,-46.99,;1.68,-46.22,)|
Show InChI InChI=1S/C20H27N3O2/c1-14-19(15(2)23-22-14)20(24)21-12-16-8-10-17(11-9-16)13-25-18-6-4-3-5-7-18/h3-7,16-17H,8-13H2,1-2H3,(H,21,24)(H,22,23)/t16-,17+
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220609
PNG
(3,5-dimethyl-N-(((1s,4s)-4-(2-phenoxyethyl)cyclohe...)
Show SMILES Cc1n[nH]c(C)c1C(=O)NC[C@@H]1CC[C@H](CCOc2ccccc2)CC1 |wU:11.11,14.15,(19.66,-44.61,;19.98,-46.12,;18.95,-47.26,;19.73,-48.59,;21.23,-48.27,;22.38,-49.3,;21.39,-46.74,;22.72,-45.96,;22.72,-44.42,;24.06,-46.73,;25.39,-45.96,;26.72,-46.72,;26.72,-48.26,;28.05,-49.02,;29.38,-48.26,;30.72,-49.03,;32.05,-48.26,;33.38,-49.04,;34.72,-48.27,;36.05,-49.04,;37.38,-48.28,;37.39,-46.74,;36.05,-45.96,;34.72,-46.74,;29.38,-46.72,;28.05,-45.94,)|
Show InChI InChI=1S/C21H29N3O2/c1-15-20(16(2)24-23-15)21(25)22-14-18-10-8-17(9-11-18)12-13-26-19-6-4-3-5-7-19/h3-7,17-18H,8-14H2,1-2H3,(H,22,25)(H,23,24)/t17-,18+
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220604
PNG
(CHEMBL249297 | N-(((1s,4s)-4-(phenoxymethyl)cycloh...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccn[nH]1 |wU:4.3,7.7,(-3.28,-24.38,;-3.28,-25.92,;-1.94,-26.69,;-.61,-25.91,;.72,-26.68,;2.05,-25.9,;3.38,-26.68,;3.38,-28.22,;4.71,-28.99,;6.05,-28.22,;7.38,-28.99,;7.37,-30.53,;8.7,-31.3,;10.04,-30.53,;10.04,-28.99,;8.71,-28.22,;2.05,-28.98,;.72,-28.22,;-4.62,-26.69,;-6.03,-26.07,;-7.05,-27.22,;-6.28,-28.55,;-4.77,-28.22,)|
Show InChI InChI=1S/C18H23N3O2/c22-18(17-10-11-20-21-17)19-12-14-6-8-15(9-7-14)13-23-16-4-2-1-3-5-16/h1-5,10-11,14-15H,6-9,12-13H2,(H,19,22)(H,20,21)/t14-,15+
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220605
PNG
(6-oxo-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)meth...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)C1NNC(=O)C=C1 |w:18.19,wU:4.3,7.7,c:25,(-3.75,-42.93,;-3.75,-44.47,;-2.41,-45.24,;-1.08,-44.46,;.26,-45.23,;1.59,-44.45,;2.91,-45.23,;2.91,-46.77,;4.25,-47.54,;5.58,-46.77,;6.91,-47.54,;6.91,-49.08,;8.24,-49.85,;9.57,-49.08,;9.57,-47.54,;8.24,-46.77,;1.59,-47.53,;.26,-46.77,;-5.08,-45.25,;-5.07,-46.79,;-6.41,-47.56,;-7.75,-46.79,;-9.08,-47.56,;-7.74,-45.25,;-6.42,-44.48,)|
Show InChI InChI=1S/C19H25N3O3/c23-18-11-10-17(21-22-18)19(24)20-12-14-6-8-15(9-7-14)13-25-16-4-2-1-3-5-16/h1-5,10-11,14-15,17,21H,6-9,12-13H2,(H,20,24)(H,22,23)/t14-,15+,17?
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220596
PNG
(3-amino-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)me...)
Show SMILES Nc1[nH]ncc1C(=O)NC[C@H]1CC[C@@H](COc2ccccc2)CC1 |wU:10.10,13.14,(-6.27,-33.66,;-5.94,-35.16,;-6.97,-36.31,;-6.19,-37.64,;-4.69,-37.31,;-4.53,-35.78,;-3.19,-35.01,;-3.2,-33.47,;-1.86,-35.78,;-.53,-35,;.81,-35.77,;2.14,-34.99,;3.47,-35.77,;3.47,-37.31,;4.8,-38.08,;6.13,-37.31,;7.47,-38.09,;7.46,-39.62,;8.79,-40.39,;10.13,-39.63,;10.12,-38.08,;8.79,-37.31,;2.14,-38.07,;.81,-37.31,)|
Show InChI InChI=1S/C18H24N4O2/c19-17-16(11-21-22-17)18(23)20-10-13-6-8-14(9-7-13)12-24-15-4-2-1-3-5-15/h1-5,11,13-14H,6-10,12H2,(H,20,23)(H3,19,21,22)/t13-,14+
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220593
PNG
(6-hydroxy-N-(((1s,4s)-4-(phenoxymethyl)cyclohexyl)...)
Show SMILES O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1ccc(=O)[nH]n1 |wU:4.3,7.7,(-3.93,-34.59,;-3.93,-36.13,;-2.59,-36.89,;-1.26,-36.12,;.08,-36.89,;1.41,-36.11,;2.74,-36.89,;2.74,-38.43,;4.07,-39.2,;5.4,-38.43,;6.74,-39.2,;6.73,-40.74,;8.06,-41.51,;9.4,-40.74,;9.39,-39.19,;8.06,-38.43,;1.41,-39.19,;.08,-38.43,;-5.26,-36.9,;-6.59,-36.13,;-7.92,-36.9,;-7.92,-38.44,;-9.25,-39.22,;-6.57,-39.21,;-5.25,-38.43,)|
Show InChI InChI=1S/C19H23N3O3/c23-18-11-10-17(21-22-18)19(24)20-12-14-6-8-15(9-7-14)13-25-16-4-2-1-3-5-16/h1-5,10-11,14-15H,6-9,12-13H2,(H,20,24)(H,22,23)/t14-,15+
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>100n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5537-42 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.033
BindingDB Entry DOI: 10.7270/Q2M908D0
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211727
PNG
(CHEMBL3974614)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(cc1)-c1ccccc1
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485n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211940
PNG
(CHEMBL3966747)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc2ccccc2c2ccccc12
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2.07E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211954
PNG
(CHEMBL3901542)
Show SMILES NCCO.Cc1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
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2.88E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211709
PNG
(CHEMBL3926030)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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PubMed
5.70E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211702
PNG
(CHEMBL3962745)
Show SMILES NCCO.COc1ccc2ccc(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cc2c1
PDB
MMDB

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Patents

Article
PubMed
6.65E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211957
PNG
(CHEMBL3943890)
Show SMILES NCCO.OC(=O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccc(Oc2ccccc2)cc1
PDB
MMDB

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Article
PubMed
8.30E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211731
PNG
(CHEMBL3892598)
Show SMILES NCCO.CC(C)(C)c1ccc(CCc2c([nH]c(=O)[nH]c2=O)C(O)=O)cc1
PDB
MMDB

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Article
PubMed
8.40E+3n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50211716
PNG
(CHEMBL3973700)
Show SMILES NCCO.COc1ccc2c(CCc3c([nH]c(=O)[nH]c3=O)C(O)=O)cccc2c1
PDB
MMDB

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Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mi...


Bioorg Med Chem 25: 1465-1470 (2017)


Article DOI: 10.1016/j.bmc.2017.01.009
BindingDB Entry DOI: 10.7270/Q2CC12TS
More data for this
Ligand-Target Pair
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