BindingDB logo
myBDB logout

USPatent US8993575

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
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM152814
PNG
(US8993575, 4)
Show SMILES OCc1ccc(cc1)-c1nnc(SCCCN2CCC(CC2)c2noc3cc(F)ccc23)o1
Show InChI InChI=1S/C24H25FN4O3S/c25-19-6-7-20-21(14-19)32-28-22(20)17-8-11-29(12-9-17)10-1-13-33-24-27-26-23(31-24)18-4-2-16(15-30)3-5-18/h2-7,14,17,30H,1,8-13,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.510n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM152813
PNG
(US8993575, 3)
Show SMILES OCc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
Show InChI InChI=1S/C23H25N5O2S2/c29-16-17-6-8-18(9-7-17)22-24-25-23(30-22)31-15-3-10-27-11-13-28(14-12-27)21-19-4-1-2-5-20(19)32-26-21/h1-2,4-9,29H,3,10-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.27n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
US Patent
n/an/a 3.35n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM152813
PNG
(US8993575, 3)
Show SMILES OCc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
Show InChI InChI=1S/C23H25N5O2S2/c29-16-17-6-8-18(9-7-17)22-24-25-23(30-22)31-15-3-10-27-11-13-28(14-12-27)21-19-4-1-2-5-20(19)32-26-21/h1-2,4-9,29H,3,10-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 8.82n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/a 11.5n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM152814
PNG
(US8993575, 4)
Show SMILES OCc1ccc(cc1)-c1nnc(SCCCN2CCC(CC2)c2noc3cc(F)ccc23)o1
Show InChI InChI=1S/C24H25FN4O3S/c25-19-6-7-20-21(14-19)32-28-22(20)17-8-11-29(12-9-17)10-1-13-33-24-27-26-23(31-24)18-4-2-16(15-30)3-5-18/h2-7,14,17,30H,1,8-13,15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 12.7n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM152816
PNG
(US8993575, 6)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H22ClFN4O2S/c24-17-4-2-16(3-5-17)22-26-27-23(30-22)32-13-1-10-29-11-8-15(9-12-29)21-19-7-6-18(25)14-20(19)31-28-21/h2-7,14-15H,1,8-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 15.1n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM152816
PNG
(US8993575, 6)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C23H22ClFN4O2S/c24-17-4-2-16(3-5-17)22-26-27-23(30-22)32-13-1-10-29-11-8-15(9-12-29)21-19-7-6-18(25)14-20(19)31-28-21/h2-7,14-15H,1,8-13H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19.9n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM152815
PNG
(US8993575, 5)
Show SMILES Clc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
Show InChI InChI=1S/C22H22ClN5OS2/c23-17-8-6-16(7-9-17)21-24-25-22(29-21)30-15-3-10-27-11-13-28(14-12-27)20-18-4-1-2-5-19(18)31-26-20/h1-2,4-9H,3,10-15H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26.9n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM152815
PNG
(US8993575, 5)
Show SMILES Clc1ccc(cc1)-c1nnc(SCCCN2CCN(CC2)c2nsc3ccccc23)o1
Show InChI InChI=1S/C22H22ClN5OS2/c23-17-8-6-16(7-9-17)21-24-25-22(29-21)30-15-3-10-27-11-13-28(14-12-27)20-18-4-1-2-5-19(18)31-26-20/h1-2,4-9H,3,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 62.5n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM152817
PNG
(US8993575, 12)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2cccc3ccccc23)CC1
Show InChI InChI=1S/C27H25FN4O2S/c28-20-9-10-23-24(17-20)34-31-25(23)19-11-14-32(15-12-19)13-4-16-35-27-30-29-26(33-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,17,19H,4,11-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 122n/an/an/an/a7.5n/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Materials for the Receptor Binding AssayIsotope ligand [3H]-Ketanserin (67.0 Ci/mmol) was purchased from PerkinElmer Company; Methysergide was purcha...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM152817
PNG
(US8993575, 12)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCSc2nnc(o2)-c2cccc3ccccc23)CC1
Show InChI InChI=1S/C27H25FN4O2S/c28-20-9-10-23-24(17-20)34-31-25(23)19-11-14-32(15-12-19)13-4-16-35-27-30-29-26(33-27)22-8-3-6-18-5-1-2-7-21(18)22/h1-3,5-10,17,19H,4,11-16H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 175n/an/an/an/an/an/a



Huazhong University of Science & Technology; NHWA Pharma Corporation

US Patent


Assay Description
Isotope ligand 3H-8-OH-DPAT (67.0 Ci/mmol) was purchased from PerkinElmer Company; 5-HT was purchased from RBI Company; GF/C glass fiber filter paper...


US Patent US8993575 (2015)


BindingDB Entry DOI: 10.7270/Q2RX99TN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%