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Patent code US9333199

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))
BDBM227453
PNG
(US9333199, S-NORKETOTIFEN (SNORK))
Show SMILES CO[C@@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C19H21NOS/c1-21-17-12-14-4-2-3-5-15(14)18(13-6-9-20-10-7-13)16-8-11-22-19(16)17/h2-5,8,11,17,20H,6-7,9-10,12H2,1H3/t17-/m1/s1
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US Patent
1.10E+3n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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US Patent
2.00E+3n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
More data for this
Ligand-Target Pair
Histamine receptor (H4)


(Homo sapiens (human))
BDBM227454
PNG
(US9333199, R-NORKETOTIFEN (RNORK))
Show SMILES CO[C@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C19H21NOS/c1-21-17-12-14-4-2-3-5-15(14)18(13-6-9-20-10-7-13)16-8-11-22-19(16)17/h2-5,8,11,17,20H,6-7,9-10,12H2,1H3/t17-/m0/s1
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US Patent
2.30E+3n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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US Patent
1.10E+4n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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1.60E+4n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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2.10E+4n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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US Patent
n/an/a 2.30E+3n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM227454
PNG
(US9333199, R-NORKETOTIFEN (RNORK))
Show SMILES CO[C@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C19H21NOS/c1-21-17-12-14-4-2-3-5-15(14)18(13-6-9-20-10-7-13)16-8-11-22-19(16)17/h2-5,8,11,17,20H,6-7,9-10,12H2,1H3/t17-/m0/s1
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US Patent
n/an/a 1.70E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM227453
PNG
(US9333199, S-NORKETOTIFEN (SNORK))
Show SMILES CO[C@@H]1Cc2ccccc2C(c2ccsc12)=C1CCNCC1
Show InChI InChI=1S/C19H21NOS/c1-21-17-12-14-4-2-3-5-15(14)18(13-6-9-20-10-7-13)16-8-11-22-19(16)17/h2-5,8,11,17,20H,6-7,9-10,12H2,1H3/t17-/m1/s1
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US Patent
n/an/a 2.30E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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US Patent
n/an/a 8.40E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
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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US Patent
n/an/a 1.50E+6n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%