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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50027318   
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


(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 |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
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 |r,wU:83.102,47.101,13.138,4.3,33.34,88.89,78.79,67.68,107.109,116.118,125.127,wD:26.30,52.106,56.57,17.17,135.140,8.8,38.39,93.94,(27.83,-36.7,;27.83,-35.16,;26.49,-34.38,;29.15,-34.38,;29.15,-32.85,;30.49,-32.08,;31.8,-32.85,;31.8,-34.38,;33.14,-32.08,;33.14,-30.53,;34.47,-32.85,;35.8,-32.08,;35.8,-30.53,;40.01,-33.02,;41.6,-32.04,;43.23,-32.89,;43.23,-34.42,;44.54,-32.11,;44.54,-30.57,;45.89,-29.8,;45.89,-28.26,;44.54,-27.49,;47.21,-27.49,;45.89,-32.89,;48.48,-32.23,;48.91,-30.87,;50.38,-34.89,;52.13,-34.44,;53.01,-35.96,;51.84,-36.95,;50.38,-36.43,;48.34,-38.91,;48.77,-40.45,;46.11,-38.58,;46.11,-37.03,;44.16,-39.41,;42.33,-38.62,;42.33,-37.09,;40.7,-39.47,;40.7,-40.99,;39.37,-41.76,;39.37,-43.3,;38.05,-44.06,;38.05,-45.59,;38.29,-38.35,;35.39,-39.38,;35.39,-40.91,;34.06,-38.61,;40.93,-30.71,;40.94,-27.32,;39.36,-26.12,;39.37,-23.14,;38.05,-22.37,;36.72,-23.15,;35.39,-22.38,;35.4,-20.84,;34.06,-23.15,;34.06,-24.68,;32.73,-25.46,;32.73,-26.98,;31.4,-27.31,;30.08,-26.97,;28.36,-27.74,;30.08,-25.44,;32.73,-22.39,;31.4,-23.16,;31.41,-24.7,;28.69,-22.34,;28.69,-20.8,;30.02,-20.04,;30.02,-18.5,;31.34,-17.73,;31.34,-16.2,;32.68,-15.42,;30.02,-15.42,;26.07,-23.55,;26.08,-25.1,;27.41,-25.88,;23.8,-26.94,;22.48,-26.19,;23.83,-29.77,;25.16,-30.53,;26.5,-29.77,;25.16,-32.08,;23.84,-32.85,;23.84,-34.38,;24.76,-36.3,;26.09,-37.07,;26.09,-38.61,;24.77,-39.38,;27.42,-39.38,;27.42,-40.91,;28.75,-38.61,;30.09,-39.38,;30.09,-40.91,;31.42,-41.68,;31.42,-43.23,;32.75,-40.91,;31.41,-38.61,;31.41,-37.07,;32.73,-39.38,;26.5,-32.85,;27.83,-32.08,;27.83,-30.53,;38.04,-20.83,;36.7,-20.07,;39.36,-20.06,;39.36,-18.52,;38.03,-17.74,;38.03,-16.21,;36.71,-15.43,;36.71,-13.9,;35.38,-16.21,;40.7,-17.74,;40.69,-16.21,;42.03,-18.52,;43.37,-17.74,;43.37,-16.2,;44.7,-15.42,;44.7,-13.89,;46.03,-13.1,;43.36,-13.12,;44.71,-18.51,;44.7,-20.05,;46.04,-17.73,;47.37,-18.52,;48.68,-17.74,;50.05,-18.53,;50.21,-20.07,;51.72,-20.4,;52.48,-19.07,;51.47,-17.91,;47.36,-20.05,;48.68,-20.83,;46.03,-20.83,;40.01,-34.57,;38.67,-35.33,;41.74,-35.33,)|
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 1


(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 300n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.1 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))
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 2


(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
PDB
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n/an/a 530n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.2 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))
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


(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 |r|
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 2


(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 Kca2.2 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 1


(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 1.19E+3n/an/an/an/an/an/a



Bristol Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of Kca2.1 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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PubMed
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))
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


(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


(Homo sapiens (Human))
BDBM50275853
PNG
(5-chloro-N-(3-nitrobenzyl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES [O-][N+](=O)c1cccc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C13H10ClN5O2/c14-11-7-13(18-12(17-11)4-5-16-18)15-8-9-2-1-3-10(6-9)19(20)21/h1-7,15H,8H2
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n/an/a 7.90E+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))
BDBM50275797
PNG
(5-chloro-N-(2-(trifluoromethoxy)benzyl)pyrazolo[1,...)
Show SMILES FC(F)(F)Oc1ccccc1CNc1cc(Cl)nc2ccnn12
Show InChI InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-3-1-2-4-10(9)23-14(16,17)18/h1-7,19H,8H2
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n/an/a 1.00E+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


(Homo sapiens (Human))
BDBM50275850
PNG
(5-chloro-N-(3-methylbenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1cccc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C14H13ClN4/c1-10-3-2-4-11(7-10)9-16-14-8-12(15)18-13-5-6-17-19(13)14/h2-8,16H,9H2,1H3
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n/an/a 1.07E+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


(Homo sapiens (Human))
BDBM50275852
PNG
(5-chloro-N-(3-(trifluoromethoxy)benzyl)pyrazolo[1,...)
Show SMILES FC(F)(F)Oc1cccc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C14H10ClF3N4O/c15-11-7-13(22-12(21-11)4-5-20-22)19-8-9-2-1-3-10(6-9)23-14(16,17)18/h1-7,19H,8H2
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n/an/a 1.10E+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


(Homo sapiens (Human))
BDBM50275851
PNG
(5-chloro-N-(3-(trifluoromethyl)benzyl)pyrazolo[1,5...)
Show SMILES FC(F)(F)c1cccc(CNc2cc(Cl)nc3ccnn23)c1
Show InChI InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)4-5-20-22)19-8-9-2-1-3-10(6-9)14(16,17)18/h1-7,19H,8H2
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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


(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


(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


(Homo sapiens (Human))
BDBM50275796
PNG
(5-chloro-N-(2-methoxybenzyl)pyrazolo[1,5-a]pyrimid...)
Show SMILES COc1ccccc1CNc1cc(Cl)nc2ccnn12
Show InChI InChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)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 1.59E+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


(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


(Homo sapiens (Human))
BDBM50275906
PNG
(5-chloro-N-(4-(trifluoromethyl)benzyl)pyrazolo[1,5...)
Show SMILES FC(F)(F)c1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C14H10ClF3N4/c15-11-7-13(22-12(21-11)5-6-20-22)19-8-9-1-3-10(4-2-9)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


(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


(Homo sapiens (Human))
BDBM50275854
PNG
(5-chloro-N-(4-chlorobenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Clc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C13H10Cl2N4/c14-10-3-1-9(2-4-10)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>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


(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


(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


(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


(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


(Homo sapiens (Human))
BDBM50275855
PNG
(5-chloro-N-(4-methylbenzyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Cc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
Show InChI InChI=1S/C14H13ClN4/c1-10-2-4-11(5-3-10)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>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