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Compile Data Set for Download or QSAR

Found 28 hits from Athersys Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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n/an/a 1n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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n/an/a 1n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328809
PNG
(CHEMBL1270165 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328807
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(2-(naphthalen-1-yl)e...)
Show SMILES C[C@@H]1C[C@@](O)(CCc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328810
PNG
(CHEMBL1270166 | rac-6-methyl-7-(naphthalen-1-yleth...)
Show SMILES CC1CN2CCCC2CC1(O)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C21H23NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,13-15H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328802
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@@H]1C[C@@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328801
PNG
(1,2,5-trimethyl-4-(naphthalen-1-ylethynyl)piperidi...)
Show SMILES CC1CC(O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328812
PNG
(CHEMBL1270264 | rac-1,2,5-trimethyl-4-(quinolin-5-...)
Show SMILES CC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3
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n/an/a 12n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328811
PNG
(CHEMBL1270167 | rac-6-methyl-7-(2-(naphthalen-1-yl...)
Show SMILES CC1CN2CCCC2CC1(O)CCc1cccc2ccccc12
Show InChI InChI=1S/C21H27NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,11-15H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328806
PNG
(CHEMBL1270058 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328805
PNG
(CHEMBL1269952 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(\C=C\c2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H25NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,15-16,22H,13-14H2,1-3H3/b12-11+
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n/an/a 20n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328803
PNG
((2S,4R,5R)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328808
PNG
(CHEMBL1270060 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(O)(C#Cc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,13-14H2,1-3H3
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n/an/a 84n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328807
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(2-(naphthalen-1-yl)e...)
Show SMILES C[C@@H]1C[C@@](O)(CCc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328802
PNG
((2R,4S,5S)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@@H]1C[C@@](O)(C#Cc2cccc3ccccc23)[C@@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m0/s1
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n/an/a 119n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328809
PNG
(CHEMBL1270165 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,10-11,13-14H2,1-3H3
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n/an/a 122n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328810
PNG
(CHEMBL1270166 | rac-6-methyl-7-(naphthalen-1-yleth...)
Show SMILES CC1CN2CCCC2CC1(O)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C21H23NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,13-15H2,1H3
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n/an/a 280n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328801
PNG
(1,2,5-trimethyl-4-(naphthalen-1-ylethynyl)piperidi...)
Show SMILES CC1CC(O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328811
PNG
(CHEMBL1270167 | rac-6-methyl-7-(2-(naphthalen-1-yl...)
Show SMILES CC1CN2CCCC2CC1(O)CCc1cccc2ccccc12
Show InChI InChI=1S/C21H27NO/c1-16-15-22-13-5-9-19(22)14-21(16,23)12-11-18-8-4-7-17-6-2-3-10-20(17)18/h2-4,6-8,10,16,19,23H,5,9,11-15H2,1H3
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n/an/a 345n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328806
PNG
(CHEMBL1270058 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H27NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,11-14H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328805
PNG
(CHEMBL1269952 | rac-1,2,5-trimethyl-4-(2-(naphthal...)
Show SMILES CC1CC(O)(\C=C\c2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C20H25NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-12,15-16,22H,13-14H2,1-3H3/b12-11+
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n/an/a 570n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328812
PNG
(CHEMBL1270264 | rac-1,2,5-trimethyl-4-(quinolin-5-...)
Show SMILES CC1CC(O)(C#Cc2cccc3ncccc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-16-6-4-8-18-17(16)7-5-11-20-18/h4-8,11,14-15,22H,12-13H2,1-3H3
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Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328813
PNG
(CHEMBL1270265 | rac-1,2,5-trimethyl-4-(quinolin-8-...)
Show SMILES CC1CC(O)(C#Cc2cccc3cccnc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-17-7-4-6-16-8-5-11-20-18(16)17/h4-8,11,14-15,22H,12-13H2,1-3H3
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n/an/a 709n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328808
PNG
(CHEMBL1270060 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(O)(C#Cc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,13-14H2,1-3H3
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n/an/a 810n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328803
PNG
((2S,4R,5R)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@H](C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m1/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50328804
PNG
(CHEMBL1269951 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(OC(C)=O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C22H25NO2/c1-16-15-23(4)17(2)14-22(16,25-18(3)24)13-12-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-17H,14-15H2,1-4H3
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n/an/a 5.51E+3n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328813
PNG
(CHEMBL1270265 | rac-1,2,5-trimethyl-4-(quinolin-8-...)
Show SMILES CC1CC(O)(C#Cc2cccc3cccnc23)C(C)CN1C
Show InChI InChI=1S/C19H22N2O/c1-14-13-21(3)15(2)12-19(14,22)10-9-17-7-4-6-16-8-5-11-20-18(16)17/h4-8,11,14-15,22H,12-13H2,1-3H3
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n/an/a 9.73E+3n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328804
PNG
(CHEMBL1269951 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(OC(C)=O)(C#Cc2cccc3ccccc23)C(C)CN1C
Show InChI InChI=1S/C22H25NO2/c1-16-15-23(4)17(2)14-22(16,25-18(3)24)13-12-20-10-7-9-19-8-5-6-11-21(19)20/h5-11,16-17H,14-15H2,1-4H3
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Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair