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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50014220   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM86248
PNG
(CAS_364-98-7 | NSC_3019 | diazoxide)
Show SMILES CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1 |t:1|
Show InChI InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
PDB

KEGG

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/an/an/a 8.80E+3n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139705
PNG
(4-Nitro-3-(4-nitro-phenyl)-5-trifluoromethyl-1H-py...)
Show SMILES [O-][N+](=O)c1c(n[nH]c1C(F)(F)F)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H5F3N4O4/c11-10(12,13)9-8(17(20)21)7(14-15-9)5-1-3-6(4-2-5)16(18)19/h1-4H,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 700n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139708
PNG
(3-(4-Nitro-phenyl)-5-trifluoromethyl-1H-pyrazole |...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc([nH]n1)C(F)(F)F
Show InChI InChI=1S/C10H6F3N3O2/c11-10(12,13)9-5-8(14-15-9)6-1-3-7(4-2-6)16(17)18/h1-5H,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139704
PNG
(3-(2,4-Difluoro-phenyl)-4-nitro-5-trifluoromethyl-...)
Show SMILES [O-][N+](=O)c1c(n[nH]c1C(F)(F)F)-c1ccc(F)cc1F
Show InChI InChI=1S/C10H4F5N3O2/c11-4-1-2-5(6(12)3-4)7-8(18(19)20)9(17-16-7)10(13,14)15/h1-3H,(H,16,17)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.15E+3n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139709
PNG
(3-(2,4-Bis-trifluoromethyl-phenyl)-4-nitro-5-trifl...)
Show SMILES [O-][N+](=O)c1c(n[nH]c1C(F)(F)F)-c1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C12H4F9N3O2/c13-10(14,15)4-1-2-5(6(3-4)11(16,17)18)7-8(24(25)26)9(23-22-7)12(19,20)21/h1-3H,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 540n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139707
PNG
(4-Nitro-3-(4-nitro-phenyl)-5-trifluoromethyl-isoxa...)
Show SMILES [O-][N+](=O)c1c([n-][o+]c1C(F)(F)F)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C10H4F3N3O5/c11-10(12,13)9-8(16(19)20)7(14-21-9)5-1-3-6(4-2-5)15(17)18/h1-4H
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139706
PNG
(3-(2,4-Dinitro-phenyl)-4-nitro-5-trifluoromethyl-1...)
Show SMILES [O-][N+](=O)c1c(n[nH]c1C(F)(F)F)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C10H4F3N5O6/c11-10(12,13)9-8(18(23)24)7(14-15-9)5-2-1-4(16(19)20)3-6(5)17(21)22/h1-3H,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 70n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11


(Homo sapiens (Human))
BDBM50139710
PNG
(4-Nitro-3-phenyl-5-trifluoromethyl-1H-pyrazole | C...)
Show SMILES [O-][N+](=O)c1c(n[nH]c1C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C10H6F3N3O2/c11-10(12,13)9-8(16(17)18)7(14-15-9)6-4-2-1-3-5-6/h1-5H,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 3.00E+4n/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
Maximum activation of human KATP (SUR1/Kir6.2) channel expressed in Xenopus oocytes


Bioorg Med Chem Lett 14: 813-6 (2004)


BindingDB Entry DOI: 10.7270/Q29P312R
More data for this
Ligand-Target Pair