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Patent code US9018213

Compile Data Set for Download or QSAR
Found 12 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
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155943
PNG
(US9018213, 14)
Show SMILES Clc1c(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc2c3CCCc3c(=O)oc12
Show InChI InChI=1S/C27H28ClN3O3S/c28-24-22(11-10-19-18-7-5-8-20(18)27(32)34-25(19)24)33-17-4-3-12-30-13-15-31(16-14-30)26-21-6-1-2-9-23(21)35-29-26/h1-2,6,9-11H,3-5,7-8,12-17H2
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US Patent
n/an/a 15.1n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155943
PNG
(US9018213, 14)
Show SMILES Clc1c(OCCCCN2CCN(CC2)c2nsc3ccccc23)ccc2c3CCCc3c(=O)oc12
Show InChI InChI=1S/C27H28ClN3O3S/c28-24-22(11-10-19-18-7-5-8-20(18)27(32)34-25(19)24)33-17-4-3-12-30-13-15-31(16-14-30)26-21-6-1-2-9-23(21)35-29-26/h1-2,6,9-11H,3-5,7-8,12-17H2
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US Patent
n/an/a 1.49E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155947
PNG
(US9018213, 19)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C28H34N2O4/c31-20-21-7-1-4-10-26(21)30-16-14-29(15-17-30)13-5-6-18-33-22-11-12-24-23-8-2-3-9-25(23)28(32)34-27(24)19-22/h1,4,7,10-12,19,31H,2-3,5-6,8-9,13-18,20H2
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US Patent
n/an/a 1.12E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155935
PNG
(US9018213, 5)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H27FN2O4/c28-18-5-7-23-25(15-18)34-29-26(23)17-9-12-30(13-10-17)11-2-14-32-19-6-8-21-20-3-1-4-22(20)27(31)33-24(21)16-19/h5-8,15-17H,1-4,9-14H2
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US Patent
n/an/a 8.90n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50448210
PNG
(CHEMBL3120697 | US9018213, 15)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
Show InChI InChI=1S/C28H28ClFN2O4/c29-25-23(9-8-20-19-4-3-5-21(19)28(33)35-27(20)25)34-15-2-1-12-32-13-10-17(11-14-32)26-22-7-6-18(30)16-24(22)36-31-26/h6-9,16-17H,1-5,10-15H2
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US Patent
n/an/a 8.60n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50448210
PNG
(CHEMBL3120697 | US9018213, 15)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2Cl)CC1
Show InChI InChI=1S/C28H28ClFN2O4/c29-25-23(9-8-20-19-4-3-5-21(19)28(33)35-27(20)25)34-15-2-1-12-32-13-10-17(11-14-32)26-22-7-6-18(30)16-24(22)36-31-26/h6-9,16-17H,1-5,10-15H2
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US Patent
n/an/a 1.89E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155935
PNG
(US9018213, 5)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H27FN2O4/c28-18-5-7-23-25(15-18)34-29-26(23)17-9-12-30(13-10-17)11-2-14-32-19-6-8-21-20-3-1-4-22(20)27(31)33-24(21)16-19/h5-8,15-17H,1-4,9-14H2
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US Patent
n/an/a 1.16E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM155937
PNG
(US9018213, 7)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H32N2O4/c30-19-20-6-1-2-9-25(20)29-15-13-28(14-16-29)12-3-4-17-32-21-10-11-23-22-7-5-8-24(22)27(31)33-26(23)18-21/h1-2,6,9-11,18,30H,3-5,7-8,12-17,19H2
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US Patent
n/an/a 1.30E+3n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 25.7n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
(1) The prepared membrane was first applied with appropriate amount of homogenized liquid, and homogenizer was used for evenly dispersing. 15 tubes w...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155937
PNG
(US9018213, 7)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C27H32N2O4/c30-19-20-6-1-2-9-25(20)29-15-13-28(14-16-29)12-3-4-17-32-21-10-11-23-22-7-5-8-24(22)27(31)33-26(23)18-21/h1-2,6,9-11,18,30H,3-5,7-8,12-17,19H2
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US Patent
n/an/a 7.40n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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n/an/a 37.9n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM155947
PNG
(US9018213, 19)
Show SMILES OCc1ccccc1N1CCN(CCCCOc2ccc3c4CCCCc4c(=O)oc3c2)CC1
Show InChI InChI=1S/C28H34N2O4/c31-20-21-7-1-4-10-26(21)30-16-14-29(15-17-30)13-5-6-18-33-22-11-12-24-23-8-2-3-9-25(23)28(32)34-27(24)19-22/h1,4,7,10-12,19,31H,2-3,5-6,8-9,13-18,20H2
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n/an/a 13.2n/an/an/an/a7.4n/a



Huazhong University of Science & Technology; NHWA Pharma. Corporation

US Patent


Assay Description
Competitive binding test for receptors: 20 μl of each of the test compounds and 20 μl of the radioactive ligand together with 160 μl o...


US Patent US9018213 (2015)


BindingDB Entry DOI: 10.7270/Q27M06N0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%