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Patent code US9464062

Compile Data Set for Download or QSAR
Found 6 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
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249361
PNG
(US9464062, 5)
Show SMILES O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CCCC1
Show InChI InChI=1S/C26H33N3O2/c30-26-29(23-13-7-8-14-23)20-24(31-26)19-27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2
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PC sid
UniChem
US Patent
n/an/a 41n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249358
PNG
(US9464062, 1)
Show SMILES C=CCN1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
Show InChI InChI=1S/C24H29N3O2/c1-2-13-27-19-22(29-24(27)28)18-25-14-16-26(17-15-25)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-12,22-23H,1,13-19H2
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UniChem
US Patent
n/an/a 126n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249360
PNG
(US9464062, 4)
Show SMILES O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CCC1
Show InChI InChI=1S/C25H31N3O2/c29-25-28(22-12-7-13-22)19-23(30-25)18-26-14-16-27(17-15-26)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,22-24H,7,12-19H2
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US Patent
n/an/a 190n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249359
PNG
(US9464062, 3)
Show SMILES CC(C)N1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
Show InChI InChI=1S/C24H31N3O2/c1-19(2)27-18-22(29-24(27)28)17-25-13-15-26(16-14-25)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-18H2,1-2H3
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US Patent
n/an/a 274n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249363
PNG
(US9464062, 7)
Show SMILES O=C1OC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)CN1C1CC1
Show InChI InChI=1S/C24H29N3O2/c28-24-27(21-11-12-21)18-22(29-24)17-25-13-15-26(16-14-25)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21-23H,11-18H2
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PC cid
PC sid
UniChem
US Patent
n/an/a 298n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM249362
PNG
(US9464062, 6)
Show SMILES CC(C)(C)N1CC(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)OC1=O
Show InChI InChI=1S/C25H33N3O2/c1-25(2,3)28-19-22(30-24(28)29)18-26-14-16-27(17-15-26)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22-23H,14-19H2,1-3H3
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US Patent
n/an/a 1.87E+3n/an/an/an/an/an/a



TEMPLE UNIVERSITY—OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

US Patent


Assay Description
A solution of the compound of the disclosure to be tested is prepared as a 1-mg/ml stock in Assay Buffer (50 mM Tris-HCl, 10 mM MgCl2, 1 mM EDTA, pH ...


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