Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043526 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 |
|---|
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50442468
(CHEMBL2440364)Show SMILES C[C@@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1 |r| Show InChI InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50442469
(CHEMBL2440362)Show SMILES C[C@@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1 |r| Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50130610
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1 Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50143558
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50442471
(CHEMBL2440363)Show SMILES C[C@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1 |r| Show InChI InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50410077
(CHEMBL180886)Show InChI InChI=1S/C18H16ClNO3/c1-12(14-6-8-16-17(10-14)23-11-22-16)20-18(21)9-7-13-4-2-3-5-15(13)19/h2-10,12H,11H2,1H3,(H,20,21)/b9-7+/t12-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50410081
(CHEMBL361184)Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(c1)-c1ccc(F)nc1 Show InChI InChI=1S/C22H18F2N2O/c1-15(26-22(27)12-10-16-5-2-3-8-20(16)23)17-6-4-7-18(13-17)19-9-11-21(24)25-14-19/h2-15H,1H3,(H,26,27)/b12-10+/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50442470
(CHEMBL401942)Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1 Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily KQT member 2
(Mus musculus) | BDBM50143560
((E)-N-[(S)-1-(4-Cyclopropylmethyl-3,4-dihydro-2H-b...)Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(CC3CC3)c2c1 Show InChI InChI=1S/C23H25FN2O2/c1-16(25-23(27)11-9-18-4-2-3-5-20(18)24)19-8-10-22-21(14-19)26(12-13-28-22)15-17-6-7-17/h2-5,8-11,14,16-17H,6-7,12-13,15H2,1H3,(H,25,27)/b11-9+/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay |
Bioorg Med Chem Lett 23: 6188-91 (2013)
Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q |
More data for this
Ligand-Target Pair | |
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