new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 87 hits with Last Name = 'ondachi' and Initial = 'p'   
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 subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|
Show InChI InChI=1/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.00900n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
US Patent
0.0180 -61.3n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|
Show InChI InChI=1/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.0210n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184561
PNG
(US9150581, RTI-7527-(+/-)-102 | US9150581, RTI-752...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|
Show InChI InChI=1/C17H16FN3O2/c18-17-15(10-1-4-13(5-2-10)21(22)23)7-11(9-19-17)14-8-12-3-6-16(14)20-12/h1-2,4-5,7,9,12,14,16,20H,3,6,8H2
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.0220n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395218
PNG
(CHEMBL2164666 | US9150581, RTI-7527-192)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26|
Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.0300n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221044
PNG
(US9284322, Table 6, Compound 10)
Show SMILES COc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|
Show InChI InChI=1/C17H18FN3O/c1-22-16-7-10(4-5-19-16)14-6-11(9-20-17(14)18)13-8-12-2-3-15(13)21-12/h4-7,9,12-13,15,21H,2-3,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0400 -59.3n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221036
PNG
(US9284322, Table 6, Compound 2)
Show SMILES Fc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H15F2N3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0490 -58.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221037
PNG
(US9284322, Table 6, Compound 3)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)nc1)C1CC2CCC1N2 |THB:4:14:17.18:20|
Show InChI InChI=1/C16H15ClFN3/c17-15-4-1-9(7-19-15)13-5-10(8-20-16(13)18)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0630 -58.2n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221041
PNG
(US9284322, Table 6, Compound 7)
Show SMILES Fc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H15F2N3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0670 -58.1n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86805
PNG
(CAS_45263788 | NSC_45263788 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1cccc(Cl)c1)C1CC2CCC1N2 |TLB:4:14:17.18:20|
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-2-10(6-12)15-7-11(9-20-17(15)19)14-8-13-4-5-16(14)21-13/h1-3,6-7,9,13-14,16,21H,4-5,8H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0730n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.0800n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.0820n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221040
PNG
(US9284322, Table 6, Compound 6)
Show SMILES Fc1ncc(cc1-c1ccncc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221045
PNG
(US9284322, Table 7, Compound 1)
Show SMILES C1CC2NC1CC2c1cncc(c1)-c1cncnc1 |THB:7:6:0.1:3|
Show InChI InChI=1/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395217
PNG
(CHEMBL2164667 | US9150581, RTI-7527-168)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.120n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221048
PNG
(US9284322, varenicline | US9303017, Varenicline)
Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
Show InChI InChI=1S/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/t8-,9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
US Patent
0.120 -56.6n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221039
PNG
(US9284322, Table 6, Compound 5)
Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|
Show InChI InChI=1/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130 -56.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221043
PNG
(US9284322, Table 6, Compound 9)
Show SMILES Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130 -56.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.170n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50171007
PNG
(4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18|
Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.190n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.240n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221038
PNG
(US9284322, Table 6, Compound 4)
Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.25 -54.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.260n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221049
PNG
(US9284322, Table 7, Compound 3)
Show SMILES Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C15H15ClN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.320 -54.2n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221035
PNG
(US9284322, Table 6, Compound 1)
Show SMILES Fc1ncc(cc1-c1cccnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C16H16FN3/c17-16-14(10-2-1-5-18-8-10)6-11(9-19-16)13-7-12-3-4-15(13)20-12/h1-2,5-6,8-9,12-13,15,20H,3-4,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.350 -54.0n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184563
PNG
(US9150581, RTI-7527-169)
Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1/C18H18FN3O/c19-17-15(10-2-1-3-11(6-10)18(20)23)7-12(9-21-17)14-8-13-4-5-16(14)22-13/h1-3,6-7,9,13-14,16,22H,4-5,8H2,(H2,20,23)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.360n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395221
PNG
(CHEMBL2164663 | US9150581, RTI-7527-153)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C(F)(F)F)C1CC2CCC1N2 |THB:4:17:20.21:23|
Show InChI InChI=1S/C18H16F4N2/c19-17-15(10-1-3-12(4-2-10)18(20,21)22)7-11(9-23-17)14-8-13-5-6-16(14)24-13/h1-4,7,9,13-14,16,24H,5-6,8H2
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.440n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM184560
PNG
(US9150581, RTI-7527-107)
Show SMILES Fc1ncc(cc1-c1cccc(c1)N(=O)=O)C1CC2CCC1N2 |THB:4:16:19.20:22|
Show InChI InChI=1/C17H16FN3O2/c18-17-15(10-2-1-3-13(6-10)21(22)23)7-11(9-19-17)14-8-12-4-5-16(14)20-12/h1-3,6-7,9,12,14,16,20H,4-5,8H2
PDB

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
0.530n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221046
PNG
(US9284322, Table 7, Compound 2)
Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.840 -51.8n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4 beta 2


(Rattus norvegicus (Rat))
BDBM50395219
PNG
(CHEMBL2164665 | US9150581, RTI-7527-193)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
0.940n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
The Ki values for the inhibition of [3H]epibatidine binding at the α4β2 nAChR in male rat cerebral cortex for compounds are listed in Table...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


(Rattus norvegicus (Rat))
BDBM221042
PNG
(US9284322, Table 6, Compound 8)
Show SMILES Fc1ncc(cc1-c1ccnc(Cl)c1)C1CC2CCC1N2 |THB:4:14:17.18:20|
Show InChI InChI=1/C16H15ClFN3/c17-15-6-9(3-4-19-15)13-5-10(8-20-16(13)18)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.18 -51.0n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
nAChR alpha4 beta2 subtype


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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

US Patent
1.5 -50.4n/an/an/an/an/a7.425



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pelfreeze Biological, Rogers, Ark.) were homogenized in 39 volumes of ice-cold 50 mM Tris buffer (pH 7.4 at 4 C.) ...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
32.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay


J Med Chem 55: 6512-22 (2012)


Article DOI: 10.1021/jm300575y
BindingDB Entry DOI: 10.7270/Q2CV4JV0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221045
PNG
(US9284322, Table 7, Compound 1)
Show SMILES C1CC2NC1CC2c1cncc(c1)-c1cncnc1 |THB:7:6:0.1:3|
Show InChI InChI=1/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
32.5n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221048
PNG
(US9284322, varenicline | US9303017, Varenicline)
Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
Show InChI InChI=1S/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/t8-,9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem
US Patent
32.5n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221049
PNG
(US9284322, Table 7, Compound 3)
Show SMILES Clc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C15H15ClN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
170n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221039
PNG
(US9284322, Table 6, Compound 5)
Show SMILES COc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:10:15:18.19:21|
Show InChI InChI=1/C17H18FN3O/c1-22-16-5-2-10(8-19-16)14-6-11(9-20-17(14)18)13-7-12-3-4-15(13)21-12/h2,5-6,8-9,12-13,15,21H,3-4,7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
524n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221043
PNG
(US9284322, Table 6, Compound 9)
Show SMILES Nc1cc(ccn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
719n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM184563
PNG
(US9150581, RTI-7527-169)
Show SMILES NC(=O)c1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1/C18H18FN3O/c19-17-15(10-2-1-3-11(6-10)18(20)23)7-12(9-21-17)14-8-13-4-5-16(14)22-13/h1-3,6-7,9,13-14,16,22H,4-5,8H2,(H2,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
870n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221038
PNG
(US9284322, Table 6, Compound 4)
Show SMILES Nc1ccc(cn1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:9:14:17.18:20|
Show InChI InChI=1/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.47E+3n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395217
PNG
(CHEMBL2164667 | US9150581, RTI-7527-168)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.87E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoMLA from rat cerebral cortex alpha7 nAChR at 50 nM incubated for 2 hrs by microplate scintillation assay


J Med Chem 55: 6512-22 (2012)


Article DOI: 10.1021/jm300575y
BindingDB Entry DOI: 10.7270/Q2CV4JV0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395217
PNG
(CHEMBL2164667 | US9150581, RTI-7527-168)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:11:16:19.20:22|
Show InChI InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
1.87E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM221046
PNG
(US9284322, Table 7, Compound 2)
Show SMILES Fc1ncc(cc1-c1cncnc1)C1CC2CCC1N2 |THB:4:13:16.17:19|
Show InChI InChI=1/C15H15FN4/c16-15-13(10-5-17-8-18-6-10)3-9(7-19-15)12-4-11-1-2-14(12)20-11/h3,5-8,11-12,14,20H,1-2,4H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.93E+3n/an/an/an/an/an/a7.4n/a



Research Triangle Institute

US Patent


Assay Description
Adult male rat cerebral cortices (Pel-Freez Biologicals, Rogers, Ark.) were homogenized (polytron) in 39 volumes of ice-cold 50 mM Tris buffer (assay...


US Patent US9284322 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KCV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM86806
PNG
(CAS_45263762 | NSC_45263762 | US9150581, RTI-7527-...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |TLB:4:13:16.17:19|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395219
PNG
(CHEMBL2164665 | US9150581, RTI-7527-193)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C17H18FN3O2S/c18-17-15(10-1-4-13(5-2-10)24(19,22)23)7-11(9-20-17)14-8-12-3-6-16(14)21-12/h1-2,4-5,7,9,12,14,16,21H,3,6,8H2,(H2,19,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395218
PNG
(CHEMBL2164666 | US9150581, RTI-7527-192)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)S(=O)(=O)C(F)(F)F)C1CC2CCC1N2 |THB:4:20:23.24:26|
Show InChI InChI=1S/C18H16F4N2O2S/c19-17-15(7-11(9-23-17)14-8-12-3-6-16(14)24-12)10-1-4-13(5-2-10)27(25,26)18(20,21)22/h1-2,4-5,7,9,12,14,16,24H,3,6,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50171007
PNG
(4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18|
Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50395220
PNG
(CHEMBL2164664 | US9150581, RTI-7527-(+/-)-154)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |THB:12:17:20.21:23|
Show InChI InChI=1S/C18H19FN2O2S/c1-24(22,23)14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
>2.00E+3n/an/an/an/an/an/an/an/a



RESEARCH TRIANGLE INSTITUTE; THE REGENTS OF THE UNIVERSITY OF MICHIGAN; VIRGINIA COMMONWEALTH UNIVERSITY

US Patent


Assay Description
Compounds (10 mM) were also evaluated for inhibition of binding to a7 nAChR using [125I]iodoMLA as previously reported in Carroll et al. The binding ...


US Patent US9150581 (2015)


BindingDB Entry DOI: 10.7270/Q2319TNR
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 87 total )  |  Next  |  Last  >>
Jump to: