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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'lang' and Initial = 'hj'   
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
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230314
PNG
(CHEMBL342046)
Show SMILES [O-][S+](Cc1ncccc1OC(F)F)c1nc2cscc2[nH]1
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n/an/a 0n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230341
PNG
(CHEMBL334908)
Show SMILES [O-][S+](Cc1ncccc1OCC(F)(F)F)c1nc2cscc2[nH]1
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Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230292
PNG
(CHEMBL139537)
Show SMILES COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C
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Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230305
PNG
(CHEMBL138559)
Show SMILES [O-][S+](Cc1ncccc1Cl)c1nc2cscc2[nH]1
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Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Potassium-transporting ATPase


(Sus scrofa (Pig))
BDBM50230337
PNG
(CHEMBL343109)
Show SMILES [O-][S+](Cc1cc(OC(F)F)ccn1)c1nc2cscc2[nH]1
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Hoechst AG

Curated by ChEMBL




J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106236
PNG
((3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m0/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099582
PNG
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)
Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106233
PNG
(CHEMBL124308 | N-(6-Benzyloxy-3-hydroxy-2,2-dimeth...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25NO5S/c1-20(2)19(22)18(21(3)27(4,23)24)16-12-15(10-11-17(16)26-20)25-13-14-8-6-5-7-9-14/h5-12,18-19,22H,13H2,1-4H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106231
PNG
(CHEMBL340910 | N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106232
PNG
(CHEMBL125307 | N-(6-Butoxy-3-hydroxy-2,2-dimethyl-...)
Show SMILES CCCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C17H27NO5S/c1-6-7-10-22-12-8-9-14-13(11-12)15(18(4)24(5,20)21)16(19)17(2,3)23-14/h8-9,11,15-16,19H,6-7,10H2,1-5H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106237
PNG
((3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m1/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106234
PNG
((3S,4R)-(+)-N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-tri...)
Show SMILES CN([C@H]1[C@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m1/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000227
PNG
(2-[4-(4-Fluoro-benzyloxy)-pyridin-2-ylmethanesulfi...)
Show SMILES Fc1ccc(COc2ccnc(CS(=O)c3nc4cscc4[nH]3)c2)cc1
Show InChI InChI=1S/C18H14FN3O2S2/c19-13-3-1-12(2-4-13)8-24-15-5-6-20-14(7-15)11-26(23)18-21-16-9-25-10-17(16)22-18/h1-7,9-10H,8,11H2,(H,21,22)
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106228
PNG
((3R,4S)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m0/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106235
PNG
(CHEMBL124810 | N-(3-Hydroxy-2,2-dimethyl-6-propoxy...)
Show SMILES CCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C16H25NO5S/c1-6-9-21-11-7-8-13-12(10-11)14(17(4)23(5,19)20)15(18)16(2,3)22-13/h7-8,10,14-15,18H,6,9H2,1-5H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106226
PNG
(CHEMBL338171 | N-(6-Chloro-3-hydroxy-2,2-dimethyl-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(Cl)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H18ClNO4S/c1-13(2)12(16)11(15(3)20(4,17)18)9-7-8(14)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106229
PNG
(CHEMBL127435 | Ethanesulfonic acid (6-fluoro-3-hyd...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000259
PNG
(2-[4-(2,2,3,3,4,4,5,5-Octafluoro-pentyloxy)-pyridi...)
Show SMILES FC(F)C(F)(F)C(F)(F)C(F)(F)COc1ccnc(CS(=O)c2nc3cscc3[nH]2)c1
Show InChI InChI=1S/C16H11F8N3O2S2/c17-12(18)15(21,22)16(23,24)14(19,20)7-29-9-1-2-25-8(3-9)6-31(28)13-26-10-4-30-5-11(10)27-13/h1-5,12H,6-7H2,(H,26,27)
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Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000211
PNG
(4,6-Dimethyl-2-[4-(2,2,2-trifluoro-ethoxy)-pyridin...)
Show SMILES Cc1sc(C)c2[nH]c(nc12)S(=O)Cc1cc(OCC(F)(F)F)ccn1
Show InChI InChI=1S/C15H14F3N3O2S2/c1-8-12-13(9(2)24-8)21-14(20-12)25(22)6-10-5-11(3-4-19-10)23-7-15(16,17)18/h3-5H,6-7H2,1-2H3,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106223
PNG
((3S,4R)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m1/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000199
PNG
(2-[3-Methoxy-4-(2,2,3,3-tetrafluoro-propoxy)-pyrid...)
Show SMILES COc1c(OCC(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C15H13F4N3O3S2/c1-24-12-10(6-27(23)14-21-8-4-26-5-9(8)22-14)20-3-2-11(12)25-7-15(18,19)13(16)17/h2-5,13H,6-7H2,1H3,(H,21,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106224
PNG
(CHEMBL125259 | Ethanesulfonic acid (3-hydroxy-2,2-...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccccc12
Show InChI InChI=1S/C14H21NO4S/c1-5-20(17,18)15(4)12-10-8-6-7-9-11(10)19-14(2,3)13(12)16/h6-9,12-13,16H,5H2,1-4H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000222
PNG
(2-[3-Methoxy-4-(2,2,2-trifluoro-ethoxy)-pyridin-2-...)
Show SMILES COc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C14H12F3N3O3S2/c1-22-12-10(18-3-2-11(12)23-7-14(15,16)17)6-25(21)13-19-8-4-24-5-9(8)20-13/h2-5H,6-7H2,1H3,(H,19,20)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106227
PNG
((3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106230
PNG
(CHEMBL338273 | Ethanesulfonic acid (6-cyano-3-hydr...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000237
PNG
(2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methoxy-...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C16H12F7N3O3S2/c1-28-12-10(6-31(27)13-25-8-4-30-5-9(8)26-13)24-3-2-11(12)29-7-14(17,18)15(19,20)16(21,22)23/h2-5H,6-7H2,1H3,(H,25,26)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000186
PNG
(2-[3-Methoxy-4-(2,2,3,3,4,4,5,5-octafluoro-pentylo...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C17H13F8N3O3S2/c1-30-12-10(6-33(29)14-27-8-4-32-5-9(8)28-14)26-3-2-11(12)31-7-15(20,21)17(24,25)16(22,23)13(18)19/h2-5,13H,6-7H2,1H3,(H,27,28)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
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n/an/a 4.45E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106225
PNG
(Butane-1-sulfonic acid (6-cyano-3-hydroxy-2,2-dime...)
Show SMILES CCCCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C17H24N2O4S/c1-5-6-9-24(21,22)19(4)15-13-10-12(11-18)7-8-14(13)23-17(2,3)16(15)20/h7-8,10,15-16,20H,5-6,9H2,1-4H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair