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Patent code US9302981

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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM215794
PNG
(US9302981, 54b)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C([O-])=O
Show InChI InChI=1S/C19H28ClNO2/c1-4-16(18(22)23)21-17(12-13(2)3)19(10-5-11-19)14-6-8-15(20)9-7-14/h6-9,13,16-17,21H,4-5,10-12H2,1-3H3,(H,22,23)/p-1
PDB

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PC sid
UniChem
US Patent
22.8n/a 140n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM215794
PNG
(US9302981, 54b)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C([O-])=O
Show InChI InChI=1S/C19H28ClNO2/c1-4-16(18(22)23)21-17(12-13(2)3)19(10-5-11-19)14-6-8-15(20)9-7-14/h6-9,13,16-17,21H,4-5,10-12H2,1-3H3,(H,22,23)/p-1
NCI pathway
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US Patent
45.2n/a 56.9n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM215795
PNG
(US9302981, 54d)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C23H36ClNO2/c1-6-20(22(26)27-15-17(4)5)25-21(14-16(2)3)23(12-7-13-23)18-8-10-19(24)11-9-18/h8-11,16-17,20-21,25H,6-7,12-15H2,1-5H3
PDB

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UniProtKB/SwissProt

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US Patent
67.6n/a 415n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM215794
PNG
(US9302981, 54b)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C([O-])=O
Show InChI InChI=1S/C19H28ClNO2/c1-4-16(18(22)23)21-17(12-13(2)3)19(10-5-11-19)14-6-8-15(20)9-7-14/h6-9,13,16-17,21H,4-5,10-12H2,1-3H3,(H,22,23)/p-1
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US Patent
120n/a 121n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM215795
PNG
(US9302981, 54d)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C23H36ClNO2/c1-6-20(22(26)27-15-17(4)5)25-21(14-16(2)3)23(12-7-13-23)18-8-10-19(24)11-9-18/h8-11,16-17,20-21,25H,6-7,12-15H2,1-5H3
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UniProtKB/SwissProt

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US Patent
180n/a 182n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM215795
PNG
(US9302981, 54d)
Show SMILES CCC(NC(CC(C)C)C1(CCC1)c1ccc(Cl)cc1)C(=O)OCC(C)C
Show InChI InChI=1S/C23H36ClNO2/c1-6-20(22(26)27-15-17(4)5)25-21(14-16(2)3)23(12-7-13-23)18-8-10-19(24)11-9-18/h8-11,16-17,20-21,25H,6-7,12-15H2,1-5H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
294n/a 370n/an/an/an/an/an/a



REVIVA PHARMACEUTICALS, Inc.

US Patent


Assay Description
The radioligand binding assays were carried out at four different test concentrations and the test concentrations were 1 nM, 10 nM, 0.1 μM, and ...


US Patent US9302981 (2016)


BindingDB Entry DOI: 10.7270/Q2WS8S3H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%