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Compile Data Set for Download or QSAR

Found 1610 hits with Last Name = 'kawamura' and Initial = 'm'   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237869
PNG
((+/-)-2-(1,3-bis(2-(2-methylpyrrolidin-1-yl)ethyl)...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2-[#6])\[#6]-1=[#6](/C#N)C#N |w:1.0,18.20|
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237870
PNG
(2-(1,3-bis(2-((S)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6])\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237874
PNG
((+/-)-2-(1-(2-(2-methylpyrrolidin-1-yl)ethyl)-3-(2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)\[#6]-1=[#6](/C#N)C#N |w:1.0|
Show InChI InChI=1S/C20H32N6/c1-18-6-5-9-24(18)12-13-26-15-14-25(20(26)19(16-21)17-22)11-10-23-7-3-2-4-8-23/h18H,2-15H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237872
PNG
(2-(3-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)-1-(2-(...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](\C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18+
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0.470n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237870
PNG
(2-(1,3-bis(2-((S)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6])\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m0/s1
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0.480n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.570n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237869
PNG
((+/-)-2-(1,3-bis(2-(2-methylpyrrolidin-1-yl)ethyl)...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2-[#6])\[#6]-1=[#6](/C#N)C#N |w:1.0,18.20|
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3
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0.680n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237874
PNG
((+/-)-2-(1-(2-(2-methylpyrrolidin-1-yl)ethyl)-3-(2...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)\[#6]-1=[#6](/C#N)C#N |w:1.0|
Show InChI InChI=1S/C20H32N6/c1-18-6-5-9-24(18)12-13-26-15-14-25(20(26)19(16-21)17-22)11-10-23-7-3-2-4-8-23/h18H,2-15H2,1H3
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0.690n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237872
PNG
(2-(3-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)-1-(2-(...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](\C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18+
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0.770n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237875
PNG
(2-(1,3-bis(2-((R)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES [#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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1.26n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237875
PNG
(2-(1,3-bis(2-((R)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES [#6]-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237878
PNG
(2-(1,3-bis(3-(piperidin-1-yl)propyl)imidazolidin-2...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(15-7-13-25-9-3-1-4-10-25)17-18-28(22)16-8-14-26-11-5-2-6-12-26/h1-18H2
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2.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237878
PNG
(2-(1,3-bis(3-(piperidin-1-yl)propyl)imidazolidin-2...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(15-7-13-25-9-3-1-4-10-25)17-18-28(22)16-8-14-26-11-5-2-6-12-26/h1-18H2
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2.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
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
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
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237871
PNG
(2-(1-(2-(piperidin-1-yl)ethyl)-3-(3-(piperidin-1-y...)
Show SMILES N#C\[#6](C#N)=[#6]-1/[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34N6/c22-18-20(19-23)21-26(13-7-12-24-8-3-1-4-9-24)16-17-27(21)15-14-25-10-5-2-6-11-25/h1-17H2
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6.30n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237871
PNG
(2-(1-(2-(piperidin-1-yl)ethyl)-3-(3-(piperidin-1-y...)
Show SMILES N#C\[#6](C#N)=[#6]-1/[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C21H34N6/c22-18-20(19-23)21-26(13-7-12-24-8-3-1-4-9-24)16-17-27(21)15-14-25-10-5-2-6-11-25/h1-17H2
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6.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
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))
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50231646
PNG
(3-(6-Chloro-naphthalene-2-sulfonyl)-1-[4-(2-hydrox...)
Show SMILES OCc1cn2c(cccc2n1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H25ClN4O4S/c26-20-6-4-19-15-22(7-5-18(19)14-20)35(33,34)13-8-25(32)29-11-9-28(10-12-29)24-3-1-2-23-27-21(17-31)16-30(23)24/h1-7,14-16,31H,8-13,17H2
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8n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 16: 3125-40 (2008)


Article DOI: 10.1016/j.bmc.2007.12.024
BindingDB Entry DOI: 10.7270/Q2VQ33J5
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237873
PNG
(2-(1-(4-(piperidin-1-yl)butyl)-3-(2-(piperidin-1-y...)
Show SMILES N#C\[#6](C#N)=[#6]-1/[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(14-8-7-13-25-9-3-1-4-10-25)17-18-28(22)16-15-26-11-5-2-6-12-26/h1-18H2
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8.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
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
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
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))
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))
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50372526
PNG
(CHEMBL261646)
Show SMILES CN(C1CCN(CC1)c1ccnc(C)c1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H28ClN3O3S/c1-18-15-23(7-11-27-18)29-12-8-22(9-13-29)28(2)25(30)10-14-33(31,32)24-6-4-19-16-21(26)5-3-20(19)17-24/h3-7,11,15-17,22H,8-10,12-14H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


Bioorg Med Chem 16: 2243-60 (2008)


Article DOI: 10.1016/j.bmc.2007.11.073
BindingDB Entry DOI: 10.7270/Q2ZC83QS
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237873
PNG
(2-(1-(4-(piperidin-1-yl)butyl)-3-(2-(piperidin-1-y...)
Show SMILES N#C\[#6](C#N)=[#6]-1/[#7](-[#6]-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(14-8-7-13-25-9-3-1-4-10-25)17-18-28(22)16-15-26-11-5-2-6-12-26/h1-18H2
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16n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237879
PNG
(2-(1,3-bis(2-(piperidin-1-yl)ethyl)imidazolidin-2-...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H32N6/c21-17-19(18-22)20-25(13-11-23-7-3-1-4-8-23)15-16-26(20)14-12-24-9-5-2-6-10-24/h1-16H2
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24n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237876
PNG
(2-(1-(naphthalen-1-ylmethyl)-3-(3-(piperidin-1-yl)...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-c1cccc2ccccc12
Show InChI InChI=1S/C25H29N5/c26-18-23(19-27)25-29(15-7-14-28-12-4-1-5-13-28)16-17-30(25)20-22-10-6-9-21-8-2-3-11-24(21)22/h2-3,6,8-11H,1,4-5,7,12-17,20H2
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36n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237879
PNG
(2-(1,3-bis(2-(piperidin-1-yl)ethyl)imidazolidin-2-...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C20H32N6/c21-17-19(18-22)20-25(13-11-23-7-3-1-4-8-23)15-16-26(20)14-12-24-9-5-2-6-10-24/h1-16H2
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55n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237877
PNG
(2-(1-(2-((3-(dimethylamino)propyl)(ethyl)amino)eth...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7](-[#6])-[#6])-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-c2cccc3ccccc23)\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C26H34N6/c1-4-30(14-8-13-29(2)3)15-16-31-17-18-32(26(31)24(19-27)20-28)21-23-11-7-10-22-9-5-6-12-25(22)23/h5-7,9-12H,4,8,13-18,21H2,1-3H3
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75n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50237877
PNG
(2-(1-(2-((3-(dimethylamino)propyl)(ethyl)amino)eth...)
Show SMILES [#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7](-[#6])-[#6])-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-c2cccc3ccccc23)\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C26H34N6/c1-4-30(14-8-13-29(2)3)15-16-31-17-18-32(26(31)24(19-27)20-28)21-23-11-7-10-22-9-5-6-12-25(22)23/h5-7,9-12H,4,8,13-18,21H2,1-3H3
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83n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
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))
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))
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
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))
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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237876
PNG
(2-(1-(naphthalen-1-ylmethyl)-3-(3-(piperidin-1-yl)...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-c1cccc2ccccc12
Show InChI InChI=1S/C25H29N5/c26-18-23(19-27)25-29(15-7-14-28-12-4-1-5-13-28)16-17-30(25)20-22-10-6-9-21-8-2-3-11-24(21)22/h2-3,6,8-11H,1,4-5,7,12-17,20H2
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690n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50231646
PNG
(3-(6-Chloro-naphthalene-2-sulfonyl)-1-[4-(2-hydrox...)
Show SMILES OCc1cn2c(cccc2n1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1
Show InChI InChI=1S/C25H25ClN4O4S/c26-20-6-4-19-15-22(7-5-18(19)14-20)35(33,34)13-8-25(32)29-11-9-28(10-12-29)24-3-1-2-23-27-21(17-31)16-30(23)24/h1-7,14-16,31H,8-13,17H2
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960n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human thrombin after 30 mins


Bioorg Med Chem 16: 3125-40 (2008)


Article DOI: 10.1016/j.bmc.2007.12.024
BindingDB Entry DOI: 10.7270/Q2VQ33J5
More data for this
Ligand-Target Pair
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