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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with Target = 'Small conductance calcium-activated potassium channel protein 3 (KCa2.3)'   
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
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50426576
PNG
(CHEMBL2324346)
Show SMILES Cc1ccn(n1)-c1nc(Nc2ccc(F)cc2)c2ncn(C)c2n1
Show InChI InChI=1S/C16H14FN7/c1-10-7-8-24(22-10)16-20-14(13-15(21-16)23(2)9-18-13)19-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,19,20,21)
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n/an/an/an/a 20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Kca 2.3 expressed in HEK293 cells by patch clamp technique


J Med Chem 56: 593-624 (2013)


Article DOI: 10.1021/jm3011433
BindingDB Entry DOI: 10.7270/Q23B61GZ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263331
PNG
((1H-Benzoimidazol-2-yl)-(R)-1,2,3,4-tetrahydronaph...)
Show SMILES C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of wild type human SK3 channel expressed in HEK293 cells assessed as Ca2+ sensitivity by inside-out patch clamp technique


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275090
PNG
((1H-Benzoimidazol-2-yl)-(6,7-dichloro-1,2,3,4-tetr...)
Show SMILES Clc1cc2CCCC(Nc3nc4ccccc4[nH]3)c2cc1Cl
Show InChI InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)
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n/an/an/an/a 1.81E+3n/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of wild type human SK3 channel expressed in HEK293 cells assessed as Ca2+ sensitivity by inside-out patch clamp technique


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263331
PNG
((1H-Benzoimidazol-2-yl)-(R)-1,2,3,4-tetrahydronaph...)
Show SMILES C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
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n/an/an/an/a 2.20E+3n/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of wild type human SK3 channel expressed in HEK293 cells assessed as Ca2+ sensitivity by inside-out patch clamp technique in presence of 5...


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM168436
PNG
(US9675591, SKA-19)
Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
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US Patent
n/an/an/an/a 1.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
All experiments were conducted at room temperature (22-24 C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...


US Patent US9675591 (2017)


BindingDB Entry DOI: 10.7270/Q26T0JSP
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356161
PNG
(CHEMBL1909931)
Show SMILES CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cccc(C(C)C)c45)c3)c12
Show InChI InChI=1S/C34H38N2/c1-23(2)29-14-8-12-27-16-18-35(5)31(33(27)29)21-25-10-7-11-26(20-25)22-32-34-28(17-19-36(32)6)13-9-15-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2
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46n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356159
PNG
(CHEMBL1909929)
Show SMILES CC(C)c1cccc2cc[n+](C)c(CCCCc3[n+](C)ccc4cccc(C(C)C)c34)c12
Show InChI InChI=1S/C30H38N2/c1-21(2)25-13-9-11-23-17-19-31(5)27(29(23)25)15-7-8-16-28-30-24(18-20-32(28)6)12-10-14-26(30)22(3)4/h9-14,17-22H,7-8,15-16H2,1-6H3/q+2
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214n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356160
PNG
(CHEMBL1909930)
Show SMILES CC(C)c1cccc2cc[n+](C)c(CCCCCc3[n+](C)ccc4cccc(C(C)C)c34)c12
Show InChI InChI=1S/C31H40N2/c1-22(2)26-14-10-12-24-18-20-32(5)28(30(24)26)16-8-7-9-17-29-31-25(19-21-33(29)6)13-11-15-27(31)23(3)4/h10-15,18-23H,7-9,16-17H2,1-6H3/q+2
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575n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356158
PNG
(CHEMBL1909928)
Show SMILES CC(C)c1cccc2cc[n+](C)c(CCCc3[n+](C)ccc4cccc(C(C)C)c34)c12
Show InChI InChI=1S/C29H36N2/c1-20(2)24-12-7-10-22-16-18-30(5)26(28(22)24)14-9-15-27-29-23(17-19-31(27)6)11-8-13-25(29)21(3)4/h7-8,10-13,16-21H,9,14-15H2,1-6H3/q+2
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837n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356162
PNG
(CHEMBL1909932)
Show SMILES CC(C)c1cccc2cc[n+](C)c(Cc3ccc(Cc4[n+](C)ccc5cccc(C(C)C)c45)cc3)c12
Show InChI InChI=1S/C34H38N2/c1-23(2)29-11-7-9-27-17-19-35(5)31(33(27)29)21-25-13-15-26(16-14-25)22-32-34-28(18-20-36(32)6)10-8-12-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2
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1.27E+3n/an/an/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Displacement of [125I]-apamin from cloned SK3 channel expressed in human HEK293 cells after 1 hr by liquid scintillation counting


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275907
PNG
(5-chloro-N-(4-(trifluoromethoxy)benzyl)pyrazolo[1,...)
Show SMILES FC(F)(F)Oc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)23-14(16,17)18/h1-7,19H,8H2
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n/an/a 1.54E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275908
PNG
(5-chloro-N-(4-nitrobenzyl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES [O-][N+](=O)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)5-6-16-18)15-8-9-1-3-10(4-2-9)19(20)21/h1-7,15H,8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275909
PNG
(5-chloro-N-(4-phenoxybenzyl)pyrazolo[1,5-a]pyrimid...)
Show SMILES Clc1cc(NCc2ccc(Oc3ccccc3)cc2)n2nccc2n1
Show InChI InChI=1S/C19H15ClN4O/c20-17-12-19(24-18(23-17)10-11-22-24)21-13-14-6-8-16(9-7-14)25-15-4-2-1-3-5-15/h1-12,21H,13H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275910
PNG
(5-chloro-N-(3,4-dichlorobenzyl)pyrazolo[1,5-a]pyri...)
Show SMILES Clc1cc(NCc2ccc(Cl)c(Cl)c2)n2nccc2n1
Show InChI InChI=1S/C13H9Cl3N4/c14-9-2-1-8(5-10(9)15)7-17-13-6-11(16)19-12-3-4-18-20(12)13/h1-6,17H,7H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275911
PNG
(5-chloro-N-(3,5-dichlorobenzyl)pyrazolo[1,5-a]pyri...)
Show SMILES Clc1cc(Cl)cc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C13H9Cl3N4/c14-9-3-8(4-10(15)5-9)7-17-13-6-11(16)19-12-1-2-18-20(12)13/h1-6,17H,7H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275958
PNG
((R)-5-chloro-N-(1-phenylethyl)pyrazolo[1,5-a]pyrim...)
Show SMILES C[C@@H](Nc1cc(Cl)nc2ccnn12)c1ccccc1
Show InChI InChI=1S/C14H13ClN4/c1-10(11-5-3-2-4-6-11)17-14-9-12(15)18-13-7-8-16-19(13)14/h2-10,17H,1H3/t10-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275959
PNG
(5-chloro-N-(1,2-diphenylethyl)pyrazolo[1,5-a]pyrim...)
Show SMILES Clc1cc(NC(Cc2ccccc2)c2ccccc2)n2nccc2n1
Show InChI InChI=1S/C20H17ClN4/c21-18-14-20(25-19(24-18)11-12-22-25)23-17(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-12,14,17,23H,13H2
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n/an/a 7.50E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275960
PNG
(5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyr...)
Show SMILES Clc1cc(NCc2cccs2)n2nccc2n1
Show InChI InChI=1S/C11H9ClN4S/c12-9-6-11(13-7-8-2-1-5-17-8)16-10(15-9)3-4-14-16/h1-6,13H,7H2
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n/an/a 350n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.168n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275792
PNG
(CHEMBL452406 | N-benzyl-5-chloropyrazolo[1,5-a]pyr...)
Show SMILES Clc1cc(NCc2ccccc2)n2nccc2n1
Show InChI InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275960
PNG
(5-chloro-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyr...)
Show SMILES Clc1cc(NCc2cccs2)n2nccc2n1
Show InChI InChI=1S/C11H9ClN4S/c12-9-6-11(13-7-8-2-1-5-17-8)16-10(15-9)3-4-14-16/h1-6,13H,7H2
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n/an/a 580n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.0640n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275792
PNG
(CHEMBL452406 | N-benzyl-5-chloropyrazolo[1,5-a]pyr...)
Show SMILES Clc1cc(NCc2ccccc2)n2nccc2n1
Show InChI InChI=1S/C13H11ClN4/c14-11-8-13(18-12(17-11)6-7-16-18)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275793
PNG
(5-chloro-N-(2-chlorobenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Clc1cc(NCc2ccccc2Cl)n2nccc2n1
Show InChI InChI=1S/C13H10Cl2N4/c14-10-4-2-1-3-9(10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2
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n/an/a 1.91E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275794
PNG
(5-chloro-N-(2-methylbenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1ccccc1CNc1cc(Cl)nc2ccnn12
Show InChI InChI=1S/C14H13ClN4/c1-10-4-2-3-5-11(10)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275795
PNG
(5-chloro-N-(2-(trifluoromethyl)benzyl)pyrazolo[1,5...)
Show SMILES FC(F)(F)c1ccccc1CNc1cc(Cl)nc2ccnn12
Show InChI InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)14(16,17)18/h1-7,19H,8H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel (unknown origin) expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5694-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.026
BindingDB Entry DOI: 10.7270/Q2TM79Z6
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50356161
PNG
(CHEMBL1909931)
Show SMILES CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4[n+](C)ccc5cccc(C(C)C)c45)c3)c12
Show InChI InChI=1S/C34H38N2/c1-23(2)29-14-8-12-27-16-18-35(5)31(33(27)29)21-25-10-7-11-26(20-25)22-32-34-28(17-19-36(32)6)13-9-15-30(34)24(3)4/h7-20,23-24H,21-22H2,1-6H3/q+2
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of cloned human SK3 channel expressed in human HEK293 cells by patch clamp assay in the presence of 1 uM intracellular Ca2+


Bioorg Med Chem Lett 21: 6756-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.043
BindingDB Entry DOI: 10.7270/Q2R211S7
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50377863
PNG
(AG-525 | CHEMBL257156)
Show SMILES COc1cc2CCN(C)[C@@H](CCC[C@@H]3N(C)CCc4cc(OC)c(OC)cc34)c2cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-28-12-10-18-14-24(30-3)26(32-5)16-20(18)22(28)8-7-9-23-21-17-27(33-6)25(31-4)15-19(21)11-13-29(23)2/h14-17,22-23H,7-13H2,1-6H3/t22-,23-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Li£ge

Curated by ChEMBL


Assay Description
Inhibition of SK3 expressed in CHO FlipIn cells by whole cell patch-clamp assay


Bioorg Med Chem Lett 18: 3440-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.069
BindingDB Entry DOI: 10.7270/Q2N29XTJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 25n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]apamin from Kca2.3 channel expressed in HEK293 cells by scintillation proximity assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 543n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264020
PNG
(CHEMBL489770 | GNF-PF-4773 | N-(4-(pyridin-2-yl)th...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-3-7-14-10(5-1)11-9-18-13(16-11)17-12-6-2-4-8-15-12/h1-9H,(H,15,16,17)
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n/an/a 290n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264021
PNG
(CHEMBL491603 | N-(4-(pyridin-2-yl)thiazol-2-yl)pyr...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccncc1
Show InChI InChI=1S/C13H10N4S/c1-2-6-15-11(3-1)12-9-18-13(17-12)16-10-4-7-14-8-5-10/h1-9H,(H,14,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264019
PNG
(5-iodo-N-(4-(pyridin-2-yl)thiazol-2-yl)pyridin-2-a...)
Show SMILES Ic1ccc(Nc2nc(cs2)-c2ccccn2)nc1
Show InChI InChI=1S/C13H9IN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263326
PNG
(3-chloro-N-(4-(pyridin-2-yl)thiazol-2-yl)-5-(trifl...)
Show SMILES FC(F)(F)c1cnc(Nc2nc(cs2)-c2ccccn2)c(Cl)c1
Show InChI InChI=1S/C14H8ClF3N4S/c15-9-5-8(14(16,17)18)6-20-12(9)22-13-21-11(7-23-13)10-3-1-2-4-19-10/h1-7H,(H,20,21,22)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264076
PNG
(CHEMBL503704 | N-(4-(pyridin-2-yl)thiazol-2-yl)pyr...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ncccn1
Show InChI InChI=1S/C12H9N5S/c1-2-5-13-9(4-1)10-8-18-12(16-10)17-11-14-6-3-7-15-11/h1-8H,(H,14,15,16,17)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264075
PNG
(2-(4-(pyridin-2-yl)thiazol-2-yl)pyridine | CHEMBL5...)
Show SMILES c1sc(nc1-c1ccccn1)-c1ccccn1
Show InChI InChI=1S/C13H9N3S/c1-3-7-14-10(5-1)12-9-17-13(16-12)11-6-2-4-8-15-11/h1-9H
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264074
PNG
(CHEMBL510166 | N,4-Diphenylthiazol-2-amine)
Show SMILES N(c1nc(cs1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2S/c1-3-7-12(8-4-1)14-11-18-15(17-14)16-13-9-5-2-6-10-13/h1-11H,(H,16,17)
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Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264073
PNG
(CHEMBL490592 | N-Phenyl-4-(2-pyridinyl)-1,3-thiazo...)
Show SMILES N(c1nc(cs1)-c1ccccn1)c1ccccc1
Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)16-14-17-13(10-18-14)12-8-4-5-9-15-12/h1-10H,(H,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264072
PNG
(2-(2-(pyridin-2-ylmethyl)thiazol-4-yl)pyridine | C...)
Show SMILES C(c1nc(cs1)-c1ccccn1)c1ccccn1
Show InChI InChI=1S/C14H11N3S/c1-3-7-15-11(5-1)9-14-17-13(10-18-14)12-6-2-4-8-16-12/h1-8,10H,9H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264071
PNG
(CHEMBL452409 | N-(4-(pyridin-4-yl)thiazol-2-yl)pyr...)
Show SMILES N(c1nc(cs1)-c1ccncc1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-2-6-15-12(3-1)17-13-16-11(9-18-13)10-4-7-14-8-5-10/h1-9H,(H,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50264070
PNG
(CHEMBL492010 | N-(4-(pyridin-3-yl)thiazol-2-yl)pyr...)
Show SMILES N(c1nc(cs1)-c1cccnc1)c1ccccn1
Show InChI InChI=1S/C13H10N4S/c1-2-7-15-12(5-1)17-13-16-11(9-18-13)10-4-3-6-14-8-10/h1-9H,(H,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 59n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263327
PNG
(CHEMBL476339 | N-(4-methylpyridin-2-yl)-4-(pyridin...)
Show SMILES Cc1ccnc(Nc2nc(cs2)-c2ccccn2)c1
Show InChI InChI=1S/C14H12N4S/c1-10-5-7-16-13(8-10)18-14-17-12(9-19-14)11-4-2-3-6-15-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 56n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50048403
PNG
(1,1'-(Deca-4,6-diyne-1,10-diyl)bis(4-amino-2-methy...)
Show SMILES Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.168n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by thallium flux assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50048403
PNG
(1,1'-(Deca-4,6-diyne-1,10-diyl)bis(4-amino-2-methy...)
Show SMILES Cc1cc(=[NH2+])c2ccccc2n1CCCCCCCCCCn1c(C)cc(=[NH2+])c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50260153
PNG
(Apamin | CHEMBL525408 | Octadecapeptide venom)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O)[C@@H](C)O
Show InChI InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1
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n/an/a 0.0640n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.3 channel expressed in HEK293 cells by electrophysiology assay


Bioorg Med Chem Lett 18: 5316-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.023
BindingDB Entry DOI: 10.7270/Q2N87BP1
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50263331
PNG
((1H-Benzoimidazol-2-yl)-(R)-1,2,3,4-tetrahydronaph...)
Show SMILES C1C[C@@H](Nc2nc3ccccc3[nH]2)c2ccccc2C1
Show InChI InChI=1S/C17H17N3/c1-2-8-13-12(6-1)7-5-11-14(13)18-17-19-15-9-3-4-10-16(15)20-17/h1-4,6,8-10,14H,5,7,11H2,(H2,18,19,20)/t14-/m1/s1
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n/an/an/a 100n/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of wild type human SK3 channel expressed in HEK293 cells


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3 (KCa2.3)


(Homo sapiens (Human))
BDBM50275090
PNG
((1H-Benzoimidazol-2-yl)-(6,7-dichloro-1,2,3,4-tetr...)
Show SMILES Clc1cc2CCCC(Nc3nc4ccccc4[nH]3)c2cc1Cl
Show InChI InChI=1S/C17H15Cl2N3/c18-12-8-10-4-3-7-14(11(10)9-13(12)19)20-17-21-15-5-1-2-6-16(15)22-17/h1-2,5-6,8-9,14H,3-4,7H2,(H2,20,21,22)
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n/an/an/a 7.80n/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of human SK3 channel expressed in HEK293 cells assessed as Ca2+ induced current after drug wash out by whole cell patch clamp technique in...


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
More data for this
Ligand-Target Pair
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