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PubMed code 20045641

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50310096
PNG
((7,12-dihydro-3-methoxytetraphen-12-yl)methanamine...)
Show SMILES COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1
Show InChI InChI=1S/C20H19NO/c1-22-16-8-9-18-14(11-16)6-7-15-10-13-4-2-3-5-17(13)19(12-21)20(15)18/h2-9,11,19H,10,12,21H2,1H3
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21n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50310098
PNG
(CHEMBL609328 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2
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223n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50310097
PNG
(CHEMBL590241 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2
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242n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50310099
PNG
(CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2
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365n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50310097
PNG
(CHEMBL590241 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(Cc1ccccc1)NCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C23H23N/c1-2-8-18(9-3-1)14-15-24-17-23-21-12-6-4-10-19(21)16-20-11-5-7-13-22(20)23/h1-13,23-24H,14-17H2
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400n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50097644
PNG
(9-(N-benzylaminomethyl)-9,10-dihydroanthracene | B...)
Show SMILES C(NCc1ccccc1)C1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C22H21N/c1-2-8-17(9-3-1)15-23-16-22-20-12-6-4-10-18(20)14-19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2
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721n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human cloned 5HT2A receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50310098
PNG
(CHEMBL609328 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(CNCC1c2ccccc2Cc2ccccc12)Cc1ccccc1
Show InChI InChI=1S/C24H25N/c1-2-9-19(10-3-1)11-8-16-25-18-24-22-14-6-4-12-20(22)17-21-13-5-7-15-23(21)24/h1-7,9-10,12-15,24-25H,8,11,16-18H2
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PubMed
725n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50310099
PNG
(CHEMBL597528 | N-((9,10-Dihydroanthracen-9-yl)meth...)
Show SMILES C(CCc1ccccc1)CNCC1c2ccccc2Cc2ccccc12
Show InChI InChI=1S/C25H27N/c1-2-10-20(11-3-1)12-8-9-17-26-19-25-23-15-6-4-13-21(23)18-22-14-5-7-16-24(22)25/h1-7,10-11,13-16,25-26H,8-9,12,17-19H2
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964n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50310096
PNG
((7,12-dihydro-3-methoxytetraphen-12-yl)methanamine...)
Show SMILES COc1ccc2c3C(CN)c4ccccc4Cc3ccc2c1
Show InChI InChI=1S/C20H19NO/c1-22-16-8-9-18-14(11-16)6-7-15-10-13-4-2-3-5-17(13)19(12-21)20(15)18/h2-9,11,19H,10,12,21H2,1H3
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2.64E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human cloned histamine H1 receptor


Bioorg Med Chem Lett 20: 935-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.064
BindingDB Entry DOI: 10.7270/Q2F47P8J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%