Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50382408
(CHEMBL2022554)Show SMILES O[C@]1(CC(=O)c2ccco2)C(=O)N(CC=C)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C17H14ClNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2/t17-/m0/s1 | 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
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382406
(CHEMBL1606364)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-7-15(8-6-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24) | 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
| n/a | n/a | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382405
(CHEMBL2022172)Show InChI InChI=1S/C18H22N4O/c1-13-6-5-7-17(20-13)21-18(23)15-12-14(19)8-9-16(15)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,19H2,1H3,(H,20,21,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50382406
(CHEMBL1606364)Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-7-15(8-6-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-4/beta-2
(Homo sapiens (Human)) | BDBM50382407
(CHEMBL1536503)Show InChI InChI=1S/C16H18N2O3S/c19-16(20)14-10-12(17-11-13-2-1-9-22-13)3-4-15(14)18-5-7-21-8-6-18/h1-4,9-10,17H,5-8,11H2,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50382405
(CHEMBL2022172)Show InChI InChI=1S/C18H22N4O/c1-13-6-5-7-17(20-13)21-18(23)15-12-14(19)8-9-16(15)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,19H2,1H3,(H,20,21,23) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50382408
(CHEMBL2022554)Show SMILES O[C@]1(CC(=O)c2ccco2)C(=O)N(CC=C)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C17H14ClNO4/c1-2-7-19-13-6-5-11(18)9-12(13)17(22,16(19)21)10-14(20)15-4-3-8-23-15/h2-6,8-9,22H,1,7,10H2/t17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-3/beta-4
(Homo sapiens (Human)) | BDBM50382407
(CHEMBL1536503)Show InChI InChI=1S/C16H18N2O3S/c19-16(20)14-10-12(17-11-13-2-1-9-22-13)3-4-15(14)18-5-7-21-8-6-18/h1-4,9-10,17H,5-8,11H2,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Antagonist activity at human alpha3beta4 nAChR expressed in HEK tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium accu... |
ACS Med Chem Lett 2: 855-860 (2011)
Article DOI: 10.1021/ml2001714
BindingDB Entry DOI: 10.7270/Q2T43V38 |
More data for this
Ligand-Target Pair | |
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