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USPatent US9138431

Compile data set for download or QSAR
Found 13 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
Histamine receptor (H4)


(Homo sapiens (human))
BDBM60636
PNG
(US9138431, S-NORKETOTIFEN (SNORK))
Show SMILES O[C@@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM181150
PNG
(US9138431, R-NORKETOTIFEN (RNORK) | US9138431, RS-...)
Show SMILES O=C1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM60637
PNG
(US9138431, R-NORKETOTIFEN (SNORK))
Show SMILES O[C@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM181150
PNG
(US9138431, R-NORKETOTIFEN (RNORK) | US9138431, RS-...)
Show SMILES O=C1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50073179
PNG
(8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-be...)
Show SMILES Clc1ccc2c(CCc3cccnc3C2=C2CCNCC2)c1
Show InChI InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM60637
PNG
(US9138431, R-NORKETOTIFEN (SNORK))
Show SMILES O[C@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM60636
PNG
(US9138431, S-NORKETOTIFEN (SNORK))
Show SMILES O[C@@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C18H19NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,16,19-20H,5-6,8-9,11H2/t16-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM22876
PNG
(CHEMBL998 | Claritin | Loratadine | Sch 29851 | US...)
Show SMILES CCOC(=O)N1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
Show InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
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n/an/a 1.50E+6n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%