BindingDB logo
myBDB logout

Patent code US9993465

Compile Data Set for Download or QSAR
Found 57 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
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0620n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.0870n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
0.120n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.380n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
0.480n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
2.5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.30n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.10n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.30n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.30n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
8.60n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
8.70n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397482
PNG
(US9993465, (S)-27)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.60n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
10n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
12n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
12n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397482
PNG
(US9993465, (S)-27)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
13n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
16n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
47n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
73n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
94n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
110n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
130n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
210n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
220n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
230n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
300n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397482
PNG
(US9993465, (S)-27)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
340n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
390n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
390n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
440n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
740n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
970n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.90E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.50E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.60E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397482
PNG
(US9993465, (S)-27)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.60E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.90E+3n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.90E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-2


(Homo sapiens (Human))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.20E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...


US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.40E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.60E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.90E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.10E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.90E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.20E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.40E+4n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-4/Beta-2


(Homo sapiens (Human))
BDBM397486
PNG
(US9993465, (S)-32)
Show SMILES CCCCCC#Cc1cnc(c(OCC2CCN2)c1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N2O/c1-2-3-4-5-6-7-13-10-15(23-12-14-8-9-21-14)16(22-11-13)17(18,19)20/h10-11,14,21H,2-5,8-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397486
PNG
(US9993465, (S)-32)
Show SMILES CCCCCC#Cc1cnc(c(OCC2CCN2)c1)C(F)(F)F
Show InChI InChI=1S/C17H21F3N2O/c1-2-3-4-5-6-7-13-10-15(23-12-14-8-9-21-14)16(22-11-13)17(18,19)20/h10-11,14,21H,2-5,8-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.50E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397482
PNG
(US9993465, (S)-27)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CC1CC1
Show InChI InChI=1S/C15H18N2O/c1-11-15(18-10-14-6-7-16-14)8-13(9-17-11)5-4-12-2-3-12/h8-9,12,14,16H,2-3,6-7,10H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.50E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.00E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.20E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.30E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397478
PNG
(US9993465, (R)-15 | US9993465, (S)-15)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCN2)c1
Show InChI InChI=1S/C16H22N2O/c1-3-4-5-6-7-14-10-16(13(2)18-11-14)19-12-15-8-9-17-15/h10-11,15,17H,3-5,8-9,12H2,1-2H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.50E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-4


(Rattus norvegicus (Rat))
BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.00E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM397480
PNG
(US9993465, (R)-16 | US9993465, (S)-16)
Show SMILES CCCCC#Cc1cnc(C)c(OCC2CCCN2)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(14(2)19-12-15)20-13-16-9-7-10-18-16/h11-12,16,18H,3-5,7,9-10,13H2,1-2H3
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.70E+5n/an/an/an/an/an/an/an/a



Georgetown University; Duke University

US Patent




US Patent US9993465 (2018)

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