Found 429 hits with Last Name = 'ravella' and Initial = 'sr' 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)) | BDBM221048
(US9284322, varenicline | US9303017, Varenicline)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
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538045
(CHEMBL4636163)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cccnc1)NC2 |r| Show InChI InChI=1S/C11H14N2O.ClH/c1-2-9(6-12-3-1)14-7-11-10-4-8(10)5-13-11;/h1-3,6,8,10-11,13H,4-5,7H2;1H/t8-,10-,11+;/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
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538008
(CHEMBL4638732)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9-,11+;/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
| 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538046
(CHEMBL4647198)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cncc(Cl)c1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-2-9(5-13-4-8)15-6-11-10-1-7(10)3-14-11;/h2,4-5,7,10-11,14H,1,3,6H2;1H/t7-,10-,11+;/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
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538047
(CHEMBL4647019)Show SMILES [H][C@@]12C[C@]1([H])[C@@H](COc1ccc(Cl)nc1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O/c12-11-2-1-8(5-14-11)15-6-10-9-3-7(9)4-13-10/h1-2,5,7,9-10,13H,3-4,6H2/t7-,9-,10+/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
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538027
(CHEMBL4644169)Show SMILES [H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C12H15ClN2O/c1-15-10(2-8-3-12(8)15)7-16-11-4-9(13)5-14-6-11/h4-6,8,10,12H,2-3,7H2,1H3/t8-,10-,12+/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
| 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538033
(CHEMBL4648557)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1cccnc1Cl)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H/t7-,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 |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538030
(CHEMBL4638919)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C12H15FN2O.ClH/c1-15-9(4-8-5-11(8)15)7-16-10-2-3-12(13)14-6-10;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8-,9-,11+;/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 |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538038
(CHEMBL4648098)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C11H13FN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8+,10+;/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
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538036
(CHEMBL4634253)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(C)nc1)C2 |r| Show InChI InChI=1S/C12H16N2O.ClH/c1-8-2-3-11(6-13-8)15-7-10-4-9-5-12(9)14-10;/h2-3,6,9-10,12,14H,4-5,7H2,1H3;1H/t9-,10+,12+;/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
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538063
(CHEMBL4642118)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
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
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538014
(CHEMBL4637076)Show SMILES OC(=O)C(O)=O.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(c1)C#CCCCCO)C2 |r| Show InChI InChI=1S/C17H22N2O2.C2H2O4/c20-6-4-2-1-3-5-13-7-16(11-18-10-13)21-12-15-8-14-9-17(14)19-15;3-1(4)2(5)6/h7,10-11,14-15,17,19-20H,1-2,4,6,8-9,12H2;(H,3,4)(H,5,6)/t14-,15-,17+;/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
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538035
(CHEMBL4634110)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1cncc(Br)c1)C2 |r| Show InChI InChI=1S/C11H13BrN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9+,11+;/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
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538029
(CHEMBL4648968)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c1-15-9(4-8-5-11(8)15)7-16-10-2-3-12(13)14-6-10;/h2-3,6,8-9,11H,4-5,7H2,1H3;1H/t8-,9-,11+;/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
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538041
(CHEMBL4642769)Show InChI InChI=1S/C12H16N2O.ClH/c1-12-6-9(12)5-10(14-12)8-15-11-3-2-4-13-7-11;/h2-4,7,9-10,14H,5-6,8H2,1H3;1H/t9-,10?,12+;/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
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538064
(CHEMBL4642865)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(F)nc1)C2 |r| Show InChI InChI=1S/C11H13FN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/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
| 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538028
(CHEMBL4634727)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1cncc(Br)c1)C2 |r| Show InChI InChI=1S/C12H15BrN2O.ClH/c1-15-10(2-8-3-12(8)15)7-16-11-4-9(13)5-14-6-11;/h4-6,8,10,12H,2-3,7H2,1H3;1H/t8-,10-,12+;/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
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538039
(CHEMBL4637371)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(OC)nc1)C2 |r| Show InChI InChI=1S/C12H16N2O2.ClH/c1-15-12-3-2-10(6-13-12)16-7-9-4-8-5-11(8)14-9;/h2-3,6,8-9,11,14H,4-5,7H2,1H3;1H/t8-,9+,11+;/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
| 4.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538022
(CHEMBL4649539)Show SMILES [H][C@]12C[C@@]1([H])N(C)[C@H](COc1cccnc1)C2 |r| Show InChI InChI=1S/C12H16N2O/c1-14-10(5-9-6-12(9)14)8-15-11-3-2-4-13-7-11/h2-4,7,9-10,12H,5-6,8H2,1H3/t9-,10-,12+/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
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538062
(CHEMBL4637698)Show SMILES OC(C(O)C(O)=O)C(O)=O.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Br)c1)C2 |r| Show InChI InChI=1S/C11H13BrN2O.C4H6O6/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;5-1(3(7)8)2(6)4(9)10/h3-5,7,9,11,14H,1-2,6H2;1-2,5-6H,(H,7,8)(H,9,10)/t7-,9-,11+;/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
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538037
(CHEMBL4645367)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8+,10+;/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
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538057
(CHEMBL4643942)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1)C2 |r| Show InChI InChI=1S/C11H14N2O.ClH/c1-2-10(6-12-3-1)14-7-9-4-8-5-11(8)13-9;/h1-3,6,8-9,11,13H,4-5,7H2;1H/t8-,9-,11+;/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
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50538046
(CHEMBL4647198)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cncc(Cl)c1)NC2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-2-9(5-13-4-8)15-6-11-10-1-7(10)3-14-11;/h2,4-5,7,10-11,14H,1,3,6H2;1H/t7-,10-,11+;/m0./s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538051
(CHEMBL4641432)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1)CC2 |r| Show InChI InChI=1S/C12H16N2O.ClH/c1-2-11(7-13-5-1)15-8-10-4-3-9-6-12(9)14-10;/h1-2,5,7,9-10,12,14H,3-4,6,8H2;1H/t9-,10-,12+;/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
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538061
(CHEMBL4640279)Show SMILES OC(C(O)C(O)=O)C(O)=O.[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1F)C2 |r| Show InChI InChI=1S/C11H13FN2O.C4H6O6/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;5-1(3(7)8)2(6)4(9)10/h1-3,7-9,14H,4-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t7-,8-,9+;/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
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538060
(CHEMBL4645127)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1Cl)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-10(2-1-3-13-11)15-6-8-4-7-5-9(7)14-8;/h1-3,7-9,14H,4-6H2;1H/t7-,8-,9+;/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
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50257941
(7-(pyridin-3-yl)-1,7-diazaspiro[4.4]nonane | CHEMB...)Show InChI InChI=1S/C12H17N3/c1-3-11(9-13-6-1)15-8-5-12(10-15)4-2-7-14-12/h1,3,6,9,14H,2,4-5,7-8,10H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538024
(CHEMBL4646061)Show SMILES [H][C@]12C[C@@]1([H])N(C)[C@H](COc1ccc(C)nc1)C2 |r| Show InChI InChI=1S/C13H18N2O/c1-9-3-4-12(7-14-9)16-8-11-5-10-6-13(10)15(11)2/h3-4,7,10-11,13H,5-6,8H2,1-2H3/t10-,11-,13+/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
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538054
(CHEMBL4642287)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Cl)nc1)CC2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c13-12-4-3-10(6-14-12)16-7-9-2-1-8-5-11(8)15-9;/h3-4,6,8-9,11,15H,1-2,5,7H2;1H/t8-,9-,11+;/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
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50538045
(CHEMBL4636163)Show SMILES Cl.[H][C@@]12C[C@]1([H])[C@@H](COc1cccnc1)NC2 |r| Show InChI InChI=1S/C11H14N2O.ClH/c1-2-9(6-12-3-1)14-7-11-10-4-8(10)5-13-11;/h1-3,6,8,10-11,13H,4-5,7H2;1H/t8-,10-,11+;/m0./s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538059
(CHEMBL4639792)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(C)nc1)C2 |r| Show InChI InChI=1S/C12H16N2O.ClH/c1-8-2-3-11(6-13-8)15-7-10-4-9-5-12(9)14-10;/h2-3,6,9-10,12,14H,4-5,7H2,1H3;1H/t9-,10-,12+;/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
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50056147
(2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...)Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538025
(CHEMBL4634566)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1cccnc1Cl)C2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c1-15-9(5-8-6-10(8)15)7-16-11-3-2-4-14-12(11)13;/h2-4,8-10H,5-7H2,1H3;1H/t8-,9-,10+;/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
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538053
(CHEMBL4646023)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(Cl)c1)CC2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c13-9-4-11(6-14-5-9)16-7-10-2-1-8-3-12(8)15-10;/h4-6,8,10,12,15H,1-3,7H2;1H/t8-,10-,12+;/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
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538026
(CHEMBL4640410)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1cccnc1F)C2 |r| Show InChI InChI=1S/C12H15FN2O.ClH/c1-15-9(5-8-6-10(8)15)7-16-11-3-2-4-14-12(11)13;/h2-4,8-10H,5-7H2,1H3;1H/t8-,9-,10+;/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
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538021
(CHEMBL4641810)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/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
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM221048
(US9284322, varenicline | US9303017, Varenicline)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
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE PC cid PC sid PDB UniChem
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538066
(CHEMBL4640566)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1ccc(Br)nc1)C2 |r| Show InChI InChI=1S/C11H13BrN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8-,10+;/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
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50538051
(CHEMBL4641432)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cccnc1)CC2 |r| Show InChI InChI=1S/C12H16N2O.ClH/c1-2-11(7-13-5-1)15-8-10-4-3-9-6-12(9)14-10;/h1-2,5,7,9-10,12,14H,3-4,6,8H2;1H/t9-,10-,12+;/m0./s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from human alpha3beta4 nAChR expressed in IMR32 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538011
(CHEMBL4636272)Show SMILES OC(=O)C(O)=O.[H][C@]12C[C@@]1([H])N[C@H](COc1cncc(c1)-c1nnco1)C2 |r| Show InChI InChI=1S/C13H14N4O2.C2H2O4/c1-8-3-12(8)16-10(1)6-18-11-2-9(4-14-5-11)13-17-15-7-19-13;3-1(4)2(5)6/h2,4-5,7-8,10,12,16H,1,3,6H2;(H,3,4)(H,5,6)/t8-,10-,12+;/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
| 131 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538009
(CHEMBL4646643)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cnc(Cl)c(Cl)c1)C2 |r| Show InChI InChI=1S/C11H12Cl2N2O.ClH/c12-9-3-8(4-14-11(9)13)16-5-7-1-6-2-10(6)15-7;/h3-4,6-7,10,15H,1-2,5H2;1H/t6-,7-,10+;/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
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538023
(CHEMBL4637361)Show SMILES Cl.[H][C@]12C[C@@]1([H])N(C)[C@H](COc1cccnc1C)C2 |r| Show InChI InChI=1S/C13H18N2O.ClH/c1-9-13(4-3-5-14-9)16-8-11-6-10-7-12(10)15(11)2;/h3-5,10-12H,6-8H2,1-2H3;1H/t10-,11-,12+;/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
| 231 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538048
(CHEMBL4642328)Show InChI InChI=1S/C11H14N2O.ClH/c1-2-10(7-12-4-1)14-8-11-6-9(11)3-5-13-11;/h1-2,4,7,9,13H,3,5-6,8H2;1H/t9-,11-;/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
| 242 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538010
(CHEMBL4637625)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](COc1cc(Cl)c(Cl)nc1Cl)C2 |r| Show InChI InChI=1S/C11H11Cl3N2O.ClH/c12-7-3-9(11(14)16-10(7)13)17-4-6-1-5-2-8(5)15-6;/h3,5-6,8,15H,1-2,4H2;1H/t5-,6-,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
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538056
(CHEMBL4634584)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](CCOc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c13-12-2-1-10(7-14-12)16-4-3-9-5-8-6-11(8)15-9;/h1-2,7-9,11,15H,3-6H2;1H/t8-,9+,11+;/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
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538034
(CHEMBL4638726)Show SMILES Cl.[H][C@@]12C[C@]1([H])N[C@H](COc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-8-3-10(5-13-4-8)15-6-9-1-7-2-11(7)14-9;/h3-5,7,9,11,14H,1-2,6H2;1H/t7-,9+,11+;/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
| 327 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538040
(CHEMBL4649507)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@@H](COc1ccc(Cl)nc1)C2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-11-2-1-9(5-13-11)15-6-8-3-7-4-10(7)14-8;/h1-2,5,7-8,10,14H,3-4,6H2;1H/t7-,8+,10+;/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
| 329 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538050
(CHEMBL4640672)Show SMILES Cl.[H][C@@]12C[C@]1(COc1ccc(Cl)nc1)NCC2 |r| Show InChI InChI=1S/C11H13ClN2O.ClH/c12-10-2-1-9(6-13-10)15-7-11-5-8(11)3-4-14-11;/h1-2,6,8,14H,3-5,7H2;1H/t8-,11-;/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
| 341 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50538055
(CHEMBL4636268)Show SMILES Cl.[H][C@]12C[C@@]1([H])N[C@H](CCOc1cncc(Cl)c1)C2 |r| Show InChI InChI=1S/C12H15ClN2O.ClH/c13-9-5-11(7-14-6-9)16-2-1-10-3-8-4-12(8)15-10;/h5-8,10,12,15H,1-4H2;1H/t8-,10+,12+;/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
| 395 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR expressed in CHOK1 cell membrane by microbeta scintillation counting method |
J Med Chem 63: 2833-2853 (2020)
Article DOI: 10.1021/acs.jmedchem.9b00790 BindingDB Entry DOI: 10.7270/Q29027BJ |
More data for this Ligand-Target Pair | |