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Compile Data Set for Download or QSAR

Found 75 hits Enz. Inhib. hit(s) with all data for entry = 50026555   
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 receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in HEK293T cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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33n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in HEK293 cells coexpressed with CRE-beta-lactamase


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262794
PNG
(2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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n/an/a 0.660n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
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n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262747
PNG
(2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]pro...)
Show SMILES C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N3O2/c1-18-7-5-14-26(17-18)15-6-16-29-21-12-10-20(11-13-21)27-19(2)25-23-9-4-3-8-22(23)24(27)28/h3-4,8-13,18H,5-7,14-17H2,1-2H3/t18-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262793
PNG
(2-Isopropyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}ph...)
Show SMILES CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262937
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-15-17(23(24,25)26)5-10-20(21)22(30)29(16)18-6-8-19(9-7-18)31-14-4-13-28-11-2-3-12-28/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262795
PNG
(2,5-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-8-21-22(17)23(27)26(18(2)24-21)19-9-11-20(12-10-19)28-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262838
PNG
(6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262835
PNG
(2,7-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O2/c1-17-6-11-21-22(16-17)24-18(2)26(23(21)27)19-7-9-20(10-8-19)28-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262936
PNG
(5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24ClN3O2/c1-16-24-20-7-4-6-19(23)21(20)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262837
PNG
(5-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262887
PNG
(8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-19(6-4-7-20(21)23)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262791
PNG
(2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl...)
Show SMILES CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-22-24-21-9-4-3-8-20(21)23(27)26(22)18-10-12-19(13-11-18)28-17-7-16-25-14-5-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263294
PNG
(3-(4-{[3-(1-Azepanyl)propyl]oxy}phenyl)-2-methyl-4...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-19-25-23-10-5-4-9-22(23)24(28)27(19)20-11-13-21(14-12-20)29-18-8-17-26-15-6-2-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262836
PNG
(2,8-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-8-21-22(17)24-18(2)26(23(21)27)19-9-11-20(12-10-19)28-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262886
PNG
(7-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-15-17(23)5-10-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262884
PNG
(5-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-20-7-4-6-19(23)21(20)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262938
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2c(cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-19(6-4-7-20(21)23(24,25)26)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262584
PNG
(2-Methyl-3-[4-({3-[(2S)-2-methyl-1-pyrrolidinyl]pr...)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-14-25(17)15-6-16-28-20-12-10-19(11-13-20)26-18(2)24-22-9-4-3-8-21(22)23(26)27/h3-4,8-13,17H,5-7,14-16H2,1-2H3/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263291
PNG
(7-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-16-20(28-2)10-11-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 2.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246240
PNG
(2-Methyl-3-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262751
PNG
(3-(4-{[3-(1-Pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-...)
Show SMILES O=c1n(cnc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C21H23N3O2/c25-21-19-6-1-2-7-20(19)22-16-24(21)17-8-10-18(11-9-17)26-15-5-14-23-12-3-4-13-23/h1-2,6-11,16H,3-5,12-15H2
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263293
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-17-23-21-8-3-2-7-20(21)22(26)25(17)18-9-11-19(12-10-18)27-16-6-15-24-13-4-5-14-24/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262883
PNG
(8-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-20(7-5-8-21(22)28-2)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262834
PNG
(2,6-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C23H27N3O2/c1-17-6-11-22-21(16-17)23(27)26(18(2)24-22)19-7-9-20(10-8-19)28-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 3.90n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262585
PNG
(2-Methyl-3-[4-({3-[(2R)-2-methyl-1-pyrrolidinyl]pr...)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-14-25(17)15-6-16-28-20-12-10-19(11-13-20)26-18(2)24-22-9-4-3-8-21(22)23(26)27/h3-4,8-13,17H,5-7,14-16H2,1-2H3/t17-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262586
PNG
(2-Methyl-3-(4-{[3-(3-methyl-1-pyrrolidinyl)propyl]...)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1
Show InChI InChI=1S/C23H27N3O2/c1-17-12-14-25(16-17)13-5-15-28-20-10-8-19(9-11-20)26-18(2)24-22-7-4-3-6-21(22)23(26)27/h3-4,6-11,17H,5,12-16H2,1-2H3
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n/an/a 5.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262583
PNG
(3-(4-{[3-(1-Azocanyl)propyl]oxy}phenyl)-2-methyl-4...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-20-26-24-11-6-5-10-23(24)25(29)28(20)21-12-14-22(15-13-21)30-19-9-18-27-16-7-3-2-4-8-17-27/h5-6,10-15H,2-4,7-9,16-19H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262643
PNG
(2-Methyl-3-(4-{[3-(2-methyl-1-piperidinyl)propyl]o...)
Show SMILES CC1CCCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O
Show InChI InChI=1S/C24H29N3O2/c1-18-8-5-6-15-26(18)16-7-17-29-21-13-11-20(12-14-21)27-19(2)25-23-10-4-3-9-22(23)24(27)28/h3-4,9-14,18H,5-8,15-17H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262587
PNG
(3-[4-({3-[(2R,5R)-2,5-Dimethyl-1-pyrrolidinyl]prop...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
Show InChI InChI=1S/C24H29N3O2/c1-17-9-10-18(2)26(17)15-6-16-29-21-13-11-20(12-14-21)27-19(3)25-23-8-5-4-7-22(23)24(27)28/h4-5,7-8,11-14,17-18H,6,9-10,15-16H2,1-3H3/t17-,18-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262749
PNG
(2-Methyl-3-(4-{[3-(4-methyl-1-piperidinyl)propyl]o...)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)CC1
Show InChI InChI=1S/C24H29N3O2/c1-18-12-15-26(16-13-18)14-5-17-29-21-10-8-20(9-11-21)27-19(2)25-23-7-4-3-6-22(23)24(27)28/h3-4,6-11,18H,5,12-17H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262750
PNG
(3-(4-{[3-(3,5-Dimethyl-1-piperidinyl)propyl]oxy}ph...)
Show SMILES CC1CC(C)CN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1
Show InChI InChI=1S/C25H31N3O2/c1-18-15-19(2)17-27(16-18)13-6-14-30-22-11-9-21(10-12-22)28-20(3)26-24-8-5-4-7-23(24)25(28)29/h4-5,7-12,18-19H,6,13-17H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50263292
PNG
(3-(4-{[3-(Diethylamino)propyl]oxy}phenyl)-2-methyl...)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O
Show InChI InChI=1S/C22H27N3O2/c1-4-24(5-2)15-8-16-27-19-13-11-18(12-14-19)25-17(3)23-21-10-7-6-9-20(21)22(25)26/h6-7,9-14H,4-5,8,15-16H2,1-3H3
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n/an/a 33n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262748
PNG
(2-Methyl-3-[4-({3-[(3R)-3-methyl-1-piperidinyl]pro...)
Show SMILES C[C@@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N3O2/c1-18-7-5-14-26(17-18)15-6-16-29-21-12-10-20(11-13-21)27-19(2)25-23-9-4-3-8-22(23)24(27)28/h3-4,8-13,18H,5-7,14-17H2,1-2H3/t18-/m1/s1
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n/an/a 41n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262938
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2c(cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-19(6-4-7-20(21)23(24,25)26)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
PDB
MMDB

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n/an/a 350n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262751
PNG
(3-(4-{[3-(1-Pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-...)
Show SMILES O=c1n(cnc2ccccc12)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C21H23N3O2/c25-21-19-6-1-2-7-20(19)22-16-24(21)17-8-10-18(11-9-17)26-15-5-14-23-12-3-4-13-23/h1-2,6-11,16H,3-5,12-15H2
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n/an/a 710n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262794
PNG
(2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262836
PNG
(2,8-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1cccc2c1nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-8-21-22(17)24-18(2)26(23(21)27)19-9-11-20(12-10-19)28-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262885
PNG
(6-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-10-5-17(23)15-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262937
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-15-17(23(24,25)26)5-10-20(21)22(30)29(16)18-6-8-19(9-7-18)31-14-4-13-28-11-2-3-12-28/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262793
PNG
(2-Isopropyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}ph...)
Show SMILES CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262791
PNG
(2-Ethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl...)
Show SMILES CCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-2-22-24-21-9-4-3-8-20(21)23(27)26(22)18-10-12-19(13-11-18)28-17-7-16-25-14-5-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262747
PNG
(2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]pro...)
Show SMILES C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N3O2/c1-18-7-5-14-26(17-18)15-6-16-29-21-12-10-20(11-13-21)27-19(2)25-23-9-4-3-8-22(23)24(27)28/h3-4,8-13,18H,5-7,14-17H2,1-2H3/t18-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262584
PNG
(2-Methyl-3-[4-({3-[(2S)-2-methyl-1-pyrrolidinyl]pr...)
Show SMILES C[C@H]1CCCN1CCCOc1ccc(cc1)-n1c(C)nc2ccccc2c1=O |r|
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-14-25(17)15-6-16-28-20-12-10-19(11-13-20)26-18(2)24-22-9-4-3-8-21(22)23(26)27/h3-4,8-13,17H,5-7,14-16H2,1-2H3/t17-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50262886
PNG
(7-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-15-17(23)5-10-20(21)22(27)26(16)18-6-8-19(9-7-18)28-14-4-13-25-11-2-3-12-25/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]N-[(4R)-1'-[(2R)-6-cyano-1,2,3,4-tetrahydro-2-naphthalenyl]-3,4-dihydro-4-hydroxyspiro[2H-1-benzopyran-2,4'-piperidin]-6-yl]meth...


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
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