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Compile Data Set for Download or QSAR

Found 147 hits Enz. Inhib. hit(s) with Target = 'Small conductance calcium-activated potassium channel protein 3'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50092131
PNG
(1,7-diazonia-15,21-diazapentacyclo[20.6.2.27,14.08...)
Show SMILES C1CCN[c+]2ccn(CCCCCn3cc[c+](NCC1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H34N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22,29-30H,1-2,7-10,17-20H2/q+2
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1.40n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50061977
PNG
(17,25-diazonia-2,9-diazaheptacyclo[23.6.2.24,7.210...)
Show SMILES C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)c1ccccc41)c3)c1ccccc21
Show InChI InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2/q+2
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1.80n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(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


(Rattus norvegicus)
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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140n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(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


(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


(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


(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


(Rattus norvegicus)
BDBM50199404
PNG
(1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-2,2-dimethy...)
Show SMILES COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC
Show InChI InChI=1S/C22H30NO4/c1-23(2)10-9-16-13-21(26-5)22(27-6)14-17(16)18(23)11-15-7-8-19(24-3)20(12-15)25-4/h7-8,12-14,18H,9-11H2,1-6H3/q+1/t18-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50377980
PNG
(CHEMBL558625)
Show SMILES C[N+]1(C)CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM92478
PNG
(Atracurium besylate | CHEMBL1360)
Show SMILES COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2
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5.90E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50366799
PNG
(TUBOCURARINE | TUBOCURARINE CHLORIDE)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50377979
PNG
(PENUCURONIUM)
Show SMILES CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@H](OC(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
Show InChI InChI=1S/C36H62N2O4/c1-25(39)41-33-23-27-13-14-28-29-15-16-31(37(5)19-9-7-10-20-37)34(42-26(2)40)35(29,3)18-17-30(28)36(27,4)24-32(33)38(6)21-11-8-12-22-38/h27-34H,7-24H2,1-6H3/q+2/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50275183
PNG
(1-ethyl-1H-benzo[d]imidazol-2(3H)-one | CHEMBL4528...)
Show SMILES CCn1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C9H10N2O/c1-2-11-8-6-4-3-5-7(8)10-9(11)12/h3-6H,2H2,1H3,(H,10,12)
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>5.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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
3D
3D Structure (crystal)
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50275184
PNG
(6,7-dichloro-3-(hydroxyimino)indolin-2-one | CHEMB...)
Show SMILES Clc1ccc2C(N=O)C(=O)Nc2c1Cl
Show InChI InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,7H,(H,11,13)
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>5.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
BDBM50275157
PNG
(CHEMBL453730 | N-cyclohexyl-2-(3,5-dimethyl-1H-pyr...)
Show SMILES Cc1cc(C)n(n1)-c1nc(C)cc(NC2CCCCC2)n1
Show InChI InChI=1S/C16H23N5/c1-11-10-15(18-14-7-5-4-6-8-14)19-16(17-11)21-13(3)9-12(2)20-21/h9-10,14H,4-8H2,1-3H3,(H,17,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(Rattus norvegicus)
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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>5.00E+4n/an/an/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Displacement of [I125]apamine from Wistar rat recombinant 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


(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


(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


(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


(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


(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


(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


(Homo sapiens (Human))
BDBM50435962
PNG
(CHEMBL2391655)
Show SMILES C1CCn2[cH+]cc([NH2+]Cc3cccc(C[NH2+]c4c[cH+]n(CC1)c1ccccc41)c3)c1ccccc21
Show InChI InChI=1S/C31H32N4/c1-6-17-34-19-15-28(26-11-2-4-13-30(26)34)32-22-24-9-8-10-25(21-24)23-33-29-16-20-35(18-7-1)31-14-5-3-12-27(29)31/h2-5,8-16,19-21,32-33H,1,6-7,17-18,22-23H2/q+2/p+2
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n/an/a 31n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of KCa2.3 (unknown origin)


Eur J Med Chem 63: 907-23 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.029
BindingDB Entry DOI: 10.7270/Q2CJ8FWM
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 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


(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


(Homo sapiens (Human))
BDBM50150389
PNG
(17,23-diazonia-2,9-diazahexacyclo[21.6.2.24,7.210,...)
Show SMILES C1CCn2cc[c+](NCc3ccc(CN[c+]4ccn(CC1)c1ccccc41)cc3)c1ccccc21
Show InChI InChI=1S/C31H32N4/c1-6-18-34-20-16-28(26-8-2-4-10-30(26)34)32-22-24-12-14-25(15-13-24)23-33-29-17-21-35(19-7-1)31-11-5-3-9-27(29)31/h2-5,8-17,20-21,32-33H,1,6-7,18-19,22-23H2/q+2
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n/an/a 60n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of KCa2.3 (unknown origin)


Eur J Med Chem 63: 907-23 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.029
BindingDB Entry DOI: 10.7270/Q2CJ8FWM
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215069
PNG
(1,2,3-tris-[3-(4-(N-ethyl)-quinoliniumylamino)-pro...)
Show SMILES CCn1cc\c(=[NH+]\CCCOc2cccc(OCCCNc3cc[n+](CC)c4ccccc34)c2OCCC\[NH+]=c2/ccn(CC)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C48H54N6O3/c1-4-52-31-25-40(37-17-7-10-20-43(37)52)49-28-14-34-55-46-23-13-24-47(56-35-15-29-50-41-26-32-53(5-2)44-21-11-8-18-38(41)44)48(46)57-36-16-30-51-42-27-33-54(6-3)45-22-12-9-19-39(42)45/h7-13,17-27,31-33H,4-6,14-16,28-30,34-36H2,1-3H3/p+3/b49-40-,51-42+
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n/an/a 86n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215071
PNG
(CHEMBL375272 | N-[3-(4-quinolinylamino)-propyl]-N-...)
Show SMILES C(CCNc1ccnc2ccccc12)CCN(CCCNc1ccnc2ccccc12)c1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1
Show InChI InChI=1S/C56H59N9O2/c1(10-27-57-53-23-31-61-49-19-6-2-15-45(49)53)11-35-65(36-12-28-58-54-24-32-62-50-20-7-3-16-46(50)54)42-39-43(66-37-13-29-59-55-25-33-63-51-21-8-4-17-47(51)55)41-44(40-42)67-38-14-30-60-56-26-34-64-52-22-9-5-18-48(52)56/h2-9,15-26,31-34,39-41H,1,10-14,27-30,35-38H2,(H,57,61)(H,58,62)(H,59,63)(H,60,64)
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n/an/a 93n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215076
PNG
(CHEMBL229982 | N-[3-(4-quinolinylamino)-propyl]-N-...)
Show SMILES C(CCNc1ccnc2ccccc12)CCN(CCCNc1ccnc2ccccc12)Cc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1
Show InChI InChI=1S/C57H61N9O2/c1(10-27-58-54-23-31-62-50-19-6-2-15-46(50)54)11-35-66(36-12-28-59-55-24-32-63-51-20-7-3-16-47(51)55)42-43-39-44(67-37-13-29-60-56-25-33-64-52-21-8-4-17-48(52)56)41-45(40-43)68-38-14-30-61-57-26-34-65-53-22-9-5-18-49(53)57/h2-9,15-26,31-34,39-41H,1,10-14,27-30,35-38,42H2,(H,58,62)(H,59,63)(H,60,64)(H,61,65)
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215070
PNG
(1,2,3-tri[3-(4-quinolinylamino)-propoxy]-benzene |...)
Show SMILES C(CNc1ccnc2ccccc12)COc1cccc(OCCCNc2ccnc3ccccc23)c1OCCCNc1ccnc2ccccc12
Show InChI InChI=1S/C42H42N6O3/c1-4-14-34-31(11-1)37(19-25-46-34)43-22-8-28-49-40-17-7-18-41(50-29-9-23-44-38-20-26-47-35-15-5-2-12-32(35)38)42(40)51-30-10-24-45-39-21-27-48-36-16-6-3-13-33(36)39/h1-7,11-21,25-27H,8-10,22-24,28-30H2,(H,43,46)(H,44,47)(H,45,48)
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n/an/a 130n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215075
PNG
(CHEMBL229818 | N-[3-(4-quinolinylamino)-propyl]-3,...)
Show SMILES C(CNc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1)CNc1ccnc2ccccc12
Show InChI InChI=1S/C42H43N7O2/c1-4-13-37-34(10-1)40(16-23-47-37)44-20-7-19-43-31-28-32(50-26-8-21-45-41-17-24-48-38-14-5-2-11-35(38)41)30-33(29-31)51-27-9-22-46-42-18-25-49-39-15-6-3-12-36(39)42/h1-6,10-18,23-25,28-30,43H,7-9,19-22,26-27H2,(H,44,47)(H,45,48)(H,46,49)
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n/an/a 220n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215072
PNG
(CHEMBL389273 | N-(4-quinolinyl)-3,4-di-[3-(4-quino...)
Show SMILES C(CNc1ccnc2ccccc12)COc1ccc(CCNc2ccnc3ccccc23)cc1OCCCNc1ccnc2ccccc12
Show InChI InChI=1S/C41H40N6O2/c1-4-12-34-31(9-1)37(18-24-45-34)42-21-7-27-48-40-16-15-30(17-23-44-39-20-26-47-36-14-6-3-11-33(36)39)29-41(40)49-28-8-22-43-38-19-25-46-35-13-5-2-10-32(35)38/h1-6,9-16,18-20,24-26,29H,7-8,17,21-23,27-28H2,(H,42,45)(H,43,46)(H,44,47)
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n/an/a 270n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 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


(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


(Rattus norvegicus)
BDBM50215068
PNG
(CHEMBL229341 | N-[3-(4-quinolinylamino)-proyl]-3,5...)
Show SMILES C(CNCc1cc(OCCCNc2ccnc3ccccc23)cc(OCCCNc2ccnc3ccccc23)c1)CNc1ccnc2ccccc12
Show InChI InChI=1S/C43H45N7O2/c1-4-13-38-35(10-1)41(16-23-48-38)45-20-7-19-44-31-32-28-33(51-26-8-21-46-42-17-24-49-39-14-5-2-11-36(39)42)30-34(29-32)52-27-9-22-47-43-18-25-50-40-15-6-3-12-37(40)43/h1-6,10-18,23-25,28-30,44H,7-9,19-22,26-27,31H2,(H,45,48)(H,46,49)(H,47,50)
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n/an/a 360n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 3


(Rattus norvegicus)
BDBM50215073
PNG
(CHEMBL229340 | N-[3-(4-quinolinyl)-aminopropyl]-N-...)
Show SMILES NCCCCCCCCN(CCCNc1ccnc2ccccc12)C(=O)\C=C\C(=O)NCCCNc1ccnc2ccccc12
Show InChI InChI=1S/C36H47N7O2/c37-21-9-3-1-2-4-10-27-43(28-12-24-39-34-20-26-41-32-16-8-6-14-30(32)34)36(45)18-17-35(44)42-23-11-22-38-33-19-25-40-31-15-7-5-13-29(31)33/h5-8,13-20,25-26H,1-4,9-12,21-24,27-28,37H2,(H,38,40)(H,39,41)(H,42,44)/b18-17+
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n/an/a 490n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of SKca channel-mediated after-hypepolarization in rat sympathetic neurons


Bioorg Med Chem 15: 5457-79 (2007)


Article DOI: 10.1016/j.bmc.2007.05.054
BindingDB Entry DOI: 10.7270/Q2416WSJ
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 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


(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
Methyl-CpG-binding protein 2


(Homo sapiens (Human))
BDBM158512
PNG
(US9034574, XXII)
Show SMILES Oc1ccc2ccccc2c1C1NN=C(S1)c1ccccc1
Show InChI InChI=1S/C18H14N2OS/c21-15-11-10-12-6-4-5-9-14(12)16(15)18-20-19-17(22-18)13-7-2-1-3-8-13/h1-11,18,20-21H
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US Patent
n/an/a 610n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 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


(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


(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


(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


(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
Methyl-CpG-binding protein 2


(Homo sapiens (Human))
BDBM47368
PNG
(BDBM77674 | US9034574, XXIV)
Show SMILES COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
Show InChI InChI=1S/C17H15N3O2/c1-22-14-9-7-13(8-10-14)19-17(21)20-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3,(H2,19,20,21)
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US Patent
n/an/a 2.81E+3n/an/an/an/an/an/a



The Johns Hopkins University

US Patent


Assay Description
DNA binding assays using recombinant MBDs. To produce recombinant His6-tagged MBD polypeptides from human MBD2 (MBD2-MBD), MBD2-MBD cDNA was amplifie...


US Patent US9034574 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SSN
More data for this
Ligand-Target Pair
Small conductance calcium-activated potassium channel protein 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


(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


(Homo sapiens (Human))
BDBM50275798
PNG
(5-chloro-N-(3-chlorobenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Clc1cccc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C13H10Cl2N4/c14-10-3-1-2-9(6-10)8-16-13-7-11(15)18-12-4-5-17-19(12)13/h1-7,16H,8H2
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n/an/a 5.20E+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


(Rattus norvegicus)
BDBM50377980
PNG
(CHEMBL558625)
Show SMILES C[N+]1(C)CCc2cc3OCOc3cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1OCOc21
Show InChI InChI=1S/C21H20NO6/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3/q+1/t18-,19+/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat recombinant SK3 channel expressed in HEK293 cells by whole cell patch clamp technique


J Med Chem 51: 7625-34 (2009)


Article DOI: 10.1021/jm800809f
BindingDB Entry DOI: 10.7270/Q28S4QT0
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Ligand-Target Pair
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