Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50044154 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-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006631
(CHEMBL3235507)Show SMILES [H][C@]12CCN3CCc4cc(OC)c(O)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-10-12-5-8-18-9-6-13-4-2-3-7-17(13,18)14(12)11-15(16)19/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006629
(CHEMBL3235505)Show SMILES [H][C@]12CCN3CCc4cc5OCOc5cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H21NO2/c1-2-6-17-13(3-1)5-8-18(17)7-4-12-9-15-16(10-14(12)17)20-11-19-15/h9-10,13H,1-8,11H2/t13-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006632
(CHEMBL3235508)Show SMILES Br.[H][C@]12CCN3CCc4cc(O)c(O)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C16H21NO2.BrH/c18-14-9-11-4-7-17-8-5-12-3-1-2-6-16(12,17)13(11)10-15(14)19;/h9-10,12,18-19H,1-8H2;1H/t12-,16-;/m0./s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006634
(CHEMBL3235510)Show InChI InChI=1S/C13H15NO2/c1-2-11-10-7-13-12(15-8-16-13)6-9(10)3-5-14(11)4-1/h6-7,11H,1-5,8H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50014647
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006628
(CHEMBL3235504)Show SMILES [H][C@]12CCN3CCc4cc(OC)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C18H25NO2/c1-20-16-11-13-6-9-19-10-7-14-5-3-4-8-18(14,19)15(13)12-17(16)21-2/h11-12,14H,3-10H2,1-2H3/t14-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006636
(CHEMBL3235512)Show InChI InChI=1S/C13H17NO2/c1-16-13-7-9-4-6-14-5-2-3-11(14)10(9)8-12(13)15/h7-8,11,15H,2-6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006630
(CHEMBL3235506)Show SMILES [H][C@]12CCN3CCc4cc(O)c(OC)cc4[C@]13CCCC2 |r| Show InChI InChI=1S/C17H23NO2/c1-20-16-11-14-12(10-15(16)19)5-8-18-9-6-13-4-2-3-7-17(13,14)18/h10-11,13,19H,2-9H2,1H3/t13-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006637
(CHEMBL3235513)Show InChI InChI=1S/C12H15NO2.BrH/c14-11-6-8-3-5-13-4-1-2-10(13)9(8)7-12(11)15;/h6-7,10,14-15H,1-5H2;1H | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006640
(CHEMBL593001)Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006639
(CHEMBL3235514)Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006638
(CHEMBL2140445)Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50014648
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006633
(CHEMBL3235509)Show InChI InChI=1S/C14H19NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h8-9,12H,3-7H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Rattus norvegicus (Rat)) | BDBM50006635
(CHEMBL3235511)Show InChI InChI=1S/C13H17NO2/c1-16-13-8-10-9(7-12(13)15)4-6-14-5-2-3-11(10)14/h7-8,11,15H,2-6H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells |
J Med Chem 56: 9673-82 (2014)
Article DOI: 10.1021/jm4013592 BindingDB Entry DOI: 10.7270/Q2JS9RZK |
More data for this Ligand-Target Pair | |