Found 476 hits with Last Name = 'bhatti' and Initial = 'bs' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398821
(CHEMBL2177537)Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50397944
(CHEMBL2177512)Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50397944
(CHEMBL2177512)Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 nAChR |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398820
(CHEMBL2177538)Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398820
(CHEMBL2177538)Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398849
(CHEMBL2177553)Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398850
(CHEMBL2177552)Show SMILES Fc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398832
(CHEMBL2177518)Show SMILES C1NCC2CC1CC(=C2)c1cncnc1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C12H15N3/c1-9-2-11(3-10(1)5-13-4-9)12-6-14-8-15-7-12/h2,6-10,13H,1,3-5H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398815
(CHEMBL2177543)Show SMILES CC(C)Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17| Show InChI InChI=1S/C16H22N2O/c1-11(2)19-16-6-15(9-18-10-16)14-4-12-3-13(5-14)8-17-7-12/h4,6,9-13,17H,3,5,7-8H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50135597
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 nAChR |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398817
(CHEMBL2177541)Show SMILES COc1cncc(c1)C1=CC2CNCC(C2)C1 |t:9,TLB:6:8:13.12.11:15| Show InChI InChI=1S/C14H18N2O/c1-17-14-5-13(8-16-9-14)12-3-10-2-11(4-12)7-15-6-10/h3,5,8-11,15H,2,4,6-7H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398841
(CHEMBL2177528)Show SMILES Cc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C14H18N2/c1-10-2-3-13(9-16-10)14-5-11-4-12(6-14)8-15-7-11/h2-3,5,9,11-12,15H,4,6-8H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398848
(CHEMBL2178156)Show SMILES N#Cc1cncc(c1)C1=C[C@H]2CNC[C@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398849
(CHEMBL2177553)Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398847
(CHEMBL2177535)Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398857
(CHEMBL2177555)Show SMILES Clc1cncc(c1)C1=CC2CNCC(C2)C1 |t:8,TLB:5:7:12.11.10:14| Show InChI InChI=1S/C13H15ClN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398852
(CHEMBL2177526)Show SMILES COc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:9,TLB:5:8:13.12.11:15| Show InChI InChI=1S/C14H18N2O/c1-17-14-3-2-12(9-16-14)13-5-10-4-11(6-13)8-15-7-10/h2-3,5,9-11,15H,4,6-8H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398843
(CHEMBL2177524)Show SMILES Clc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C13H15ClN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398845
(CHEMBL2177522)Show SMILES Fc1ccc(cn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C13H15FN2/c14-13-2-1-11(8-16-13)12-4-9-3-10(5-12)7-15-6-9/h1-2,4,8-10,15H,3,5-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398860
(CHEMBL2177549)Show SMILES COc1cc(cnc1Cl)C1=CC2CNCC(C2)C1 |t:10,TLB:4:9:14.13.12:16| Show InChI InChI=1S/C14H17ClN2O/c1-18-13-5-12(8-17-14(13)15)11-3-9-2-10(4-11)7-16-6-9/h3,5,8-10,16H,2,4,6-7H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398830
(CHEMBL2177516)Show SMILES Clc1ccc(nn1)C1=CC2CNCC(C2)C1 |t:8,TLB:4:7:12.11.10:14| Show InChI InChI=1S/C12H14ClN3/c13-12-2-1-11(15-16-12)10-4-8-3-9(5-10)7-14-6-8/h1-2,4,8-9,14H,3,5-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398822
(CHEMBL2177514)Show SMILES Fc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:13,TLB:10:12:17.16.15:19| Show InChI InChI=1S/C19H19FN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398816
(CHEMBL2177542)Show SMILES COc1cncc(c1)C1=CC2CC(CN(C)C2)C1 |t:9,THB:6:8:13.14.16:11| Show InChI InChI=1S/C15H20N2O/c1-17-9-11-3-12(10-17)5-13(4-11)14-6-15(18-2)8-16-7-14/h4,6-8,11-12H,3,5,9-10H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398847
(CHEMBL2177535)Show SMILES N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:9| Show InChI InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398854
(CHEMBL2177533)Show SMILES FC(F)(F)c1cncc(c1)C1=CC2CNCC(C2)C1 |t:11,TLB:8:10:15.14.13:17| Show InChI InChI=1S/C14H15F3N2/c15-14(16,17)13-4-12(7-19-8-13)11-2-9-1-10(3-11)6-18-5-9/h2,4,7-10,18H,1,3,5-6H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398838
(CHEMBL2177545)Show SMILES C1NCC2CC1CC(=C2)c1cncc(Oc2ccccc2)c1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C19H20N2O/c1-2-4-18(5-3-1)22-19-9-17(12-21-13-19)16-7-14-6-15(8-16)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398862
(CHEMBL2177547)Show SMILES C(Oc1cncc(c1)C1=CC2CNCC(C2)C1)c1ccccc1 |t:9,TLB:6:8:13.12.11:15| Show InChI InChI=1S/C20H22N2O/c1-2-4-15(5-3-1)14-23-20-9-19(12-22-13-20)18-7-16-6-17(8-18)11-21-10-16/h1-5,7,9,12-13,16-17,21H,6,8,10-11,14H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398846
(CHEMBL2177532)Show SMILES C1NCC2CC1CC(=C2)c1cncc(c1)-c1ccccc1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C19H20N2/c1-2-4-16(5-3-1)18-9-19(13-21-12-18)17-7-14-6-15(8-17)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398827
(CHEMBL2178160)Show SMILES COc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1 |t:15,TLB:12:14:19.18.17:21| Show InChI InChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398825
(CHEMBL2178158)Show SMILES Clc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:16,TLB:12:14:19.18.17:21| Show InChI InChI=1S/C19H19ClN2O/c20-18-3-1-2-4-19(18)23-17-8-16(11-22-12-17)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398828
(CHEMBL2177109)Show SMILES COc1ccccc1Oc1cncc(c1)C1=CC2CNCC(C2)C1 |t:17,TLB:13:15:20.19.18:22| Show InChI InChI=1S/C20H22N2O2/c1-23-19-4-2-3-5-20(19)24-18-9-17(12-22-13-18)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50397903
(CHEMBL2179962)Show InChI InChI=1S/C11H18N2O/c14-11(10-1-2-10)13-6-8-3-9(7-13)5-12-4-8/h8-10,12H,1-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398824
(CHEMBL2178157)Show SMILES Clc1cccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)c1 |t:14,TLB:11:13:18.17.16:20| Show InChI InChI=1S/C19H19ClN2O/c20-17-2-1-3-18(8-17)23-19-7-16(11-22-12-19)15-5-13-4-14(6-15)10-21-9-13/h1-3,5,7-8,11-14,21H,4,6,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50397901
(CHEMBL2179965)Show InChI InChI=1S/C10H16N2O/c13-10(8-1-2-8)12-5-7-3-9(6-12)11-4-7/h7-9,11H,1-6H2/t7-,9+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50498034
(CHEMBL3329543)Show SMILES C[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting |
Eur J Med Chem 86: 60-74 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50498033
(CHEMBL3329540)Show SMILES F[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting |
Eur J Med Chem 86: 60-74 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50498045
(CHEMBL3329537)Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting |
Eur J Med Chem 86: 60-74 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50023330
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Binding affinity to alpha4beta2 nAChR |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398831
(CHEMBL2177517)Show SMILES C1NCC2CC1CC(=C2)c1cnccn1 |c:8,TLB:9:7:0.1.2:4| Show InChI InChI=1S/C12H15N3/c1-2-15-12(8-13-1)11-4-9-3-10(5-11)7-14-6-9/h1-2,4,8-10,14H,3,5-7H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50398820
(CHEMBL2177538)Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398851
(CHEMBL2177546)Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(Oc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C20H22N2O/c1-22-13-15-7-16(14-22)9-17(8-15)18-10-20(12-21-11-18)23-19-5-3-2-4-6-19/h2-6,8,10-12,15-16H,7,9,13-14H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50398821
(CHEMBL2177537)Show InChI InChI=1S/C13H16N2/c1-2-12(9-14-3-1)13-5-10-4-11(6-13)8-15-7-10/h1-3,5,9-11,15H,4,6-8H2/t10-,11+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398826
(CHEMBL2178159)Show SMILES COc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:14,TLB:11:13:18.17.16:20| Show InChI InChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50397944
(CHEMBL2177512)Show InChI InChI=1S/C12H17N3/c1-2-12(7-13-3-1)15-8-10-4-11(9-15)6-14-5-10/h1-3,7,10-11,14H,4-6,8-9H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50398849
(CHEMBL2177553)Show SMILES Fc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1 |r,t:8| Show InChI InChI=1S/C13H15FN2/c14-13-4-12(7-16-8-13)11-2-9-1-10(3-11)6-15-5-9/h2,4,7-10,15H,1,3,5-6H2/t9-,10+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398861
(CHEMBL2177548)Show SMILES CN1CC2CC(C1)C=C(C2)c1cncc(OCc2ccccc2)c1 |c:8,THB:10:8:2.1.6:4| Show InChI InChI=1S/C21H24N2O/c1-23-13-17-7-18(14-23)9-19(8-17)20-10-21(12-22-11-20)24-15-16-5-3-2-4-6-16/h2-6,8,10-12,17-18H,7,9,13-15H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50498046
(CHEMBL3329538)Show SMILES F[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12| Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H] nicotine from human alpha4beta2 nAChR transfected in SH-EP1 cells by liquid scintillation counting |
Eur J Med Chem 86: 60-74 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.019 BindingDB Entry DOI: 10.7270/Q2PK0K4H |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50398823
(CHEMBL2177513)Show SMILES Clc1ccc(Oc2cncc(c2)C2=CC3CNCC(C3)C2)cc1 |t:13,TLB:10:12:17.16.15:19| Show InChI InChI=1S/C19H19ClN2O/c20-17-1-3-18(4-2-17)23-19-8-16(11-22-12-19)15-6-13-5-14(7-15)10-21-9-13/h1-4,6,8,11-14,21H,5,7,9-10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from human alpha4beta2 nAChR expressed in human SH-EP1 cells |
J Med Chem 55: 9929-45 (2012)
Article DOI: 10.1021/jm3011299 BindingDB Entry DOI: 10.7270/Q2474C0B |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)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/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
KEGG PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50397888
(CHEMBL2179531)Show InChI InChI=1S/C11H13ClN2O2/c12-9-1-2-16-10(9)11(15)14-5-7-3-13-4-8(7)6-14/h1-2,7-8,13H,3-6H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Targacept, Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]nicotine from alpha4beta2 nAChR in human SH-EP1 cells after 2 hrs by liquid scintillation assay |
J Med Chem 55: 9181-94 (2012)
Article DOI: 10.1021/jm3006542 BindingDB Entry DOI: 10.7270/Q2W0972W |
More data for this Ligand-Target Pair | |