BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 797 hits from Columbia University College of Physicians and Surgeons   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
0.0250n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0280n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0320n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(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
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0340n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0350n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.0350n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/C17H17ClN2/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

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0370n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/C17H17ClN2/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
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0390n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(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
Show InChI InChI=1/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
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0390n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(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

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0400n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475409
PNG
(CHEMBL197526)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0440n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0530n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475409
PNG
(CHEMBL197526)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0580n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.0610n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2
Show InChI InChI=1/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.0620n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2
Show InChI InChI=1/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.0640n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(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
Show InChI InChI=1/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

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.0660n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.0780n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.0780n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.0790n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
PubMed
0.0950n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(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
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.100n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/C17H17ClN2/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
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.122n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/Beta-2


(Rattus norvegicus (Rat))
BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.158n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB

KEGG

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.160n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50475409
PNG
(CHEMBL197526)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.171n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.240n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475406
PNG
(CHEMBL372326)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)c(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H15Cl2FN2/c18-14-3-1-9(6-15(14)19)13-5-10(8-21-17(13)20)12-7-11-2-4-16(12)22-11/h1,3,5-6,8,11-12,16,22H,2,4,7H2
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.245n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475406
PNG
(CHEMBL372326)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)c(Cl)c1)C1CC2CCC1N2
Show InChI InChI=1S/C17H15Cl2FN2/c18-14-3-1-9(6-15(14)19)13-5-10(8-21-17(13)20)12-7-11-2-4-16(12)22-11/h1,3,5-6,8,11-12,16,22H,2,4,7H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.280n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2
Show InChI InChI=1/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.339n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-3/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
Show InChI InChI=1/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
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.351n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
Reactome pathway
KEGG

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
0.430n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Dopamine receptor D4


Bioorg Med Chem Lett 11: 1375-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00241-4
BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/C17H17ClN2/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
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.470n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
0.504n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.541n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

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


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1/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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
0.570n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50106488
PNG
(2-(6-Fluoro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/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

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.643n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50106488
PNG
(2-(6-Fluoro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2
Show InChI InChI=1/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
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.733n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50164465
PNG
(CHEMBL190937 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H20N2OS/c1-18(2)10-13-5-3-4-6-15(13)20-16-8-7-12(11-19)9-14(16)17/h3-9,19H,10-11,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor Alpha-2/Beta-4


(Rattus norvegicus (Rat))
BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(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
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.862n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta4 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50171313
PNG
((3-Ethyl-2-methyl-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/t15-,18+
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.870n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro affinity for cloned rat metabotropic glutamate 1 receptors stably expressed on CHO cells determined using [3H]-R214127 as radioligand


J Med Chem 48: 5096-9 (2005)


Article DOI: 10.1021/jm050263+
BindingDB Entry DOI: 10.7270/Q29S1QJK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475408
PNG
(CHEMBL382533)
Show SMILES Cc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-3-2-4-12(7-11)16-8-13(10-20-18(16)19)15-9-14-5-6-17(15)21-14/h2-4,7-8,10,14-15,17,21H,5-6,9H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
0.898n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50119548
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-fluorom...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(CF)cc1N
Show InChI InChI=1S/C16H19FN2S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,10-11,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.04n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110577
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(I)cc1N
Show InChI InChI=1S/C15H17IN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.07n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50475408
PNG
(CHEMBL382533)
Show SMILES Cc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2
Show InChI InChI=1S/C18H19FN2/c1-11-3-2-4-12(7-11)16-8-13(10-20-18(16)19)15-9-14-5-6-17(15)21-14/h2-4,7-8,10,14-15,17,21H,5-6,9H2,1H3
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
1.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine


Bioorg Med Chem Lett 15: 4385-8 (2005)

More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50182020
PNG
(2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-m...)
Show SMILES COc1cccc(c1)N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)9-4-3-8-22-10-12-23(13-11-22)16-6-5-7-17(14-16)27-2/h5-7,14-15H,3-4,8-13H2,1-2H3
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Agonist activity assessed by stimulation of [35S]GTP-gamma-S binding to human 5HT1A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 2101-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.052
BindingDB Entry DOI: 10.7270/Q2ZC82FS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091097
PNG
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.12n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.19n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 797 total )  |  Next  |  Last  >>
Jump to: