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Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'dreker' and Initial = 't'   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426821
PNG
(4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426821
PNG
(4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426821
PNG
(4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)
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89n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426821
PNG
(4-(2-Guanidinoethyl)Benzenesulfonamide Hydrochlori...)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-c1ccc(cc1)S([#7])(=O)=O
Show InChI InChI=1S/C9H14N4O2S/c10-9(11)13-6-5-7-1-3-8(4-2-7)16(12,14)15/h1-4H,5-6H2,(H4,10,11,13)(H2,12,14,15)
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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630n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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2.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426822
PNG
(1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)
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4.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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5.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426822
PNG
(1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)
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7.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426822
PNG
(1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)
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8.34E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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8.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426822
PNG
(1-(4-Hydroxyphenyl)Guanidine Hydrochloride | CHEMB...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C7H9N3O/c8-7(9)10-5-1-3-6(11)4-2-5/h1-4,11H,(H4,8,9,10)
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1.46E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279106
PNG
(4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one | ...)
Show SMILES O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
Show InChI InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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n/an/a 10n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279107
PNG
(1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole | C...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
Show InChI InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
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n/an/a 20n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279107
PNG
(1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole | C...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
Show InChI InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
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n/an/a 20n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IK1 (unknown origin)


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 70n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 70n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IK1 (unknown origin)


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279024
PNG
((1,3-dimethyl-1H-pyrazol-5-yl)(5-(furan-2-carbonyl...)
Show SMILES Cc1cc(C(=O)C2N(C(=O)c3ccco3)c3ccccc3-c3ccccc23)n(C)n1
Show InChI InChI=1S/C24H19N3O3/c1-15-14-20(26(2)25-15)23(28)22-18-10-4-3-8-16(18)17-9-5-6-11-19(17)27(22)24(29)21-12-7-13-30-21/h3-14,22H,1-2H3
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n/an/a 710n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278971
PNG
(2-(5-(furan-2-carbonyl)-5,6-dihydrophenanthridin-6...)
Show SMILES OC(=O)C(=O)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H13NO5/c22-18(20(24)25)17-14-8-2-1-6-12(14)13-7-3-4-9-15(13)21(17)19(23)16-10-5-11-26-16/h1-11,17H,(H,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279105
PNG
(5-(3-chlorobenzoyl)-5H-dibenzo[b,d]azepin-7(6H)-on...)
Show SMILES Clc1cccc(c1)C(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H14ClNO2/c22-15-7-5-6-14(12-15)21(25)23-13-20(24)18-10-2-1-8-16(18)17-9-3-4-11-19(17)23/h1-12H,13H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279065
PNG
(5-(4-chlorophenylsulfonyl)-5H-dibenzo[b,d]azepin-7...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H14ClNO3S/c21-14-9-11-15(12-10-14)26(24,25)22-13-20(23)18-7-2-1-5-16(18)17-6-3-4-8-19(17)22/h1-12H,13H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278972
PNG
(CHEMBL500166 | methyl 2-(5-(furan-2-carbonyl)-5,6-...)
Show SMILES COC(=O)C(=O)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H15NO5/c1-26-21(25)19(23)18-15-9-3-2-7-13(15)14-8-4-5-10-16(14)22(18)20(24)17-11-6-12-27-17/h2-12,18H,1H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278973
PNG
((5-(furan-2-carbonyl)-5,6-dihydrophenanthridin-6-y...)
Show SMILES COc1ccccc1C(=O)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C26H19NO4/c1-30-22-14-7-5-12-20(22)25(28)24-19-11-3-2-9-17(19)18-10-4-6-13-21(18)27(24)26(29)23-15-8-16-31-23/h2-16,24H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278994
PNG
(CHEMBL498728 | phenanthridine-5,6(6H)-diylbis(fura...)
Show SMILES O=C(C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12)c1ccco1
Show InChI InChI=1S/C23H15NO4/c25-22(19-11-5-13-27-19)21-17-9-2-1-7-15(17)16-8-3-4-10-18(16)24(21)23(26)20-12-6-14-28-20/h1-14,21H
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n/an/a 1.50E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278938
PNG
(1-(5-(furan-2-carbonyl)-5,6-dihydrophenanthridin-6...)
Show SMILES CCCC(C)C(=O)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C24H23NO3/c1-3-9-16(2)23(26)22-19-12-5-4-10-17(19)18-11-6-7-13-20(18)25(22)24(27)21-14-8-15-28-21/h4-8,10-16,22H,3,9H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279063
PNG
(5-tosyl-5H-dibenzo[b,d]azepin-7(6H)-one | CHEMBL49...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H17NO3S/c1-15-10-12-16(13-11-15)26(24,25)22-14-21(23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)22/h2-13H,14H2,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279103
PNG
(5-(thiophen-2-ylsulfonyl)-5H-dibenzo[b,d]azepin-7(...)
Show SMILES O=C1CN(c2ccccc2-c2ccccc12)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H13NO3S2/c20-17-12-19(24(21,22)18-10-5-11-23-18)16-9-4-3-7-14(16)13-6-1-2-8-15(13)17/h1-11H,12H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279105
PNG
(5-(3-chlorobenzoyl)-5H-dibenzo[b,d]azepin-7(6H)-on...)
Show SMILES Clc1cccc(c1)C(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H14ClNO2/c22-15-7-5-6-14(12-15)21(25)23-13-20(24)18-10-2-1-8-16(18)17-9-3-4-11-19(17)23/h1-12H,13H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279066
PNG
(5-(3-chlorophenylsulfonyl)-5H-dibenzo[b,d]azepin-7...)
Show SMILES Clc1cccc(c1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H14ClNO3S/c21-14-6-5-7-15(12-14)26(24,25)22-13-20(23)18-10-2-1-8-16(18)17-9-3-4-11-19(17)22/h1-12H,13H2
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n/an/a 3.60E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279104
PNG
(5-(4-methylbenzoyl)-5H-dibenzo[b,d]azepin-7(6H)-on...)
Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H17NO2/c1-15-10-12-16(13-11-15)22(25)23-14-21(24)19-8-3-2-6-17(19)18-7-4-5-9-20(18)23/h2-13H,14H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278939
PNG
((6-(cyclobutanecarbonyl)phenanthridin-5(6H)-yl)(fu...)
Show SMILES O=C(C1CCC1)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C23H19NO3/c25-22(15-7-5-8-15)21-18-11-2-1-9-16(18)17-10-3-4-12-19(17)24(21)23(26)20-13-6-14-27-20/h1-4,6,9-15,21H,5,7-8H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278936
PNG
(1-(6-(1H-indol-3-yl)phenanthridin-5(6H)-yl)ethanon...)
Show SMILES CC(=O)N1C(c2c[nH]c3ccccc23)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C23H18N2O/c1-15(26)25-22-13-7-5-10-18(22)16-8-2-3-11-19(16)23(25)20-14-24-21-12-6-4-9-17(20)21/h2-14,23-24H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279107
PNG
(1-((2-chlorophenyl)diphenylmethyl)-1H-pyrazole | C...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1cccn1
Show InChI InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H
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n/an/a 5.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279063
PNG
(5-tosyl-5H-dibenzo[b,d]azepin-7(6H)-one | CHEMBL49...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C21H17NO3S/c1-15-10-12-16(13-11-15)26(24,25)22-14-21(23)19-8-3-2-6-17(19)18-7-4-5-9-20(18)22/h2-13H,14H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM31774
PNG
(CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...)
Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
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n/an/a 6.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279065
PNG
(5-(4-chlorophenylsulfonyl)-5H-dibenzo[b,d]azepin-7...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H14ClNO3S/c21-14-9-11-15(12-10-14)26(24,25)22-13-20(23)18-7-2-1-5-16(18)17-6-3-4-8-19(17)22/h1-12H,13H2
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n/an/a 6.10E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50278937
PNG
(1-(5-(furan-2-carbonyl)-5,6-dihydrophenanthridin-6...)
Show SMILES CC(C)C(=O)C1N(C(=O)c2ccco2)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H19NO3/c1-14(2)21(24)20-17-10-4-3-8-15(17)16-9-5-6-11-18(16)23(20)22(25)19-12-7-13-26-19/h3-14,20H,1-2H3
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n/an/a 7.40E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279064
PNG
(5-(4-nitrophenylsulfonyl)-5H-dibenzo[b,d]azepin-7(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C20H14N2O5S/c23-20-13-21(28(26,27)15-11-9-14(10-12-15)22(24)25)19-8-4-3-6-17(19)16-5-1-2-7-18(16)20/h1-12H,13H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279106
PNG
(4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one | ...)
Show SMILES O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
Show InChI InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50279103
PNG
(5-(thiophen-2-ylsulfonyl)-5H-dibenzo[b,d]azepin-7(...)
Show SMILES O=C1CN(c2ccccc2-c2ccccc12)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H13NO3S2/c20-17-12-19(24(21,22)18-10-5-11-23-18)16-9-4-3-7-14(16)13-6-1-2-8-15(13)17/h1-11H,12H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of cloned Kv1.3 channel (unknown origin) expressed in mammalian cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50279104
PNG
(5-(4-methylbenzoyl)-5H-dibenzo[b,d]azepin-7(6H)-on...)
Show SMILES Cc1ccc(cc1)C(=O)N1CC(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C22H17NO2/c1-15-10-12-16(13-11-15)22(25)23-14-21(24)19-8-3-2-6-17(19)18-7-4-5-9-20(18)23/h2-13H,14H2,1H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of human cloned IK1 expressed in african green monkey COS7 cells by whole cell patch clamp assay


Bioorg Med Chem Lett 19: 2299-304 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.077
BindingDB Entry DOI: 10.7270/Q29K4B38
More data for this
Ligand-Target Pair