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PubChem AID 2594

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65858
PNG
(MLS000557943 | N-[2-[5-[(4-chlorobenzyl)thio]-1,3,...)
Show SMILES CC(C)(C)OC(=O)NCCc1nnc(SCc2ccc(Cl)cc2)o1
Show InChI InChI=1S/C16H20ClN3O3S/c1-16(2,3)23-14(21)18-9-8-13-19-20-15(22-13)24-10-11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,21)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65871
PNG
(5-bromanyl-N-(1-phenylethyl)thiophene-2-sulfonamid...)
Show SMILES CC(NS(=O)(=O)c1ccc(Br)s1)c1ccccc1
Show InChI InChI=1S/C12H12BrNO2S2/c1-9(10-5-3-2-4-6-10)14-18(15,16)12-8-7-11(13)17-12/h2-9,14H,1H3
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n/an/a 1.98E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65874
PNG
(2-[[2-[(2-hydroxy-5-methyl-benzyl)amino]ethylamino...)
Show SMILES Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1
Show InChI InChI=1S/C18H24N2O2/c1-13-3-5-17(21)15(9-13)11-19-7-8-20-12-16-10-14(2)4-6-18(16)22/h3-6,9-10,19-22H,7-8,11-12H2,1-2H3
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n/an/a 2.15E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65865
PNG
((E)-N-[(4-methoxyphenyl)methyl]-3-phenyl-2-propen-...)
Show SMILES COc1ccc(CNC\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C17H19NO/c1-19-17-11-9-16(10-12-17)14-18-13-5-8-15-6-3-2-4-7-15/h2-12,18H,13-14H2,1H3/b8-5+
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n/an/a 2.23E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65861
PNG
(1-{[3-(3-phenoxyphenoxy)propyl]amino}-2-propanol e...)
Show SMILES CC(O)CNCCCOc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C18H23NO3/c1-15(20)14-19-11-6-12-21-17-9-5-10-18(13-17)22-16-7-3-2-4-8-16/h2-5,7-10,13,15,19-20H,6,11-12,14H2,1H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65872
PNG
(1-[(4-fluorobenzyl)amino]-3-(4-methylphenoxy)propa...)
Show SMILES Cc1ccc(OCC(O)CNCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H20FNO2/c1-13-2-8-17(9-3-13)21-12-16(20)11-19-10-14-4-6-15(18)7-5-14/h2-9,16,19-20H,10-12H2,1H3
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n/an/a 2.46E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65868
PNG
(4-Bromo-N-(1-phenyl-ethyl)-benzenesulfonamide | 4-...)
Show SMILES CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1
Show InChI InChI=1S/C14H14BrNO2S/c1-11(12-5-3-2-4-6-12)16-19(17,18)14-9-7-13(15)8-10-14/h2-11,16H,1H3
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n/an/a 2.56E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65859
PNG
(2-Cyclopropyl-1-phenethyl-1H-benzoimidazole | 2-cy...)
Show SMILES C(Cn1c(nc2ccccc12)C1CC1)c1ccccc1
Show InChI InChI=1S/C18H18N2/c1-2-6-14(7-3-1)12-13-20-17-9-5-4-8-16(17)19-18(20)15-10-11-15/h1-9,15H,10-13H2
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n/an/a 2.57E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65870
PNG
((4-Methoxy-benzyl)-naphthalen-1-ylmethyl-amine | 1...)
Show SMILES COc1ccc(CNCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65863
PNG
(3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1H-in...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C19H20FN3/c20-16-5-7-17(8-6-16)23-11-9-22(10-12-23)14-15-13-21-19-4-2-1-3-18(15)19/h1-8,13,21H,9-12,14H2
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n/an/a 3.07E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM43753
PNG
(6-methyl-N-(phenylmethyl)-1H-benzimidazol-2-amine ...)
Show SMILES Cc1ccc2nc(NCc3ccccc3)[nH]c2c1
Show InChI InChI=1S/C15H15N3/c1-11-7-8-13-14(9-11)18-15(17-13)16-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,16,17,18)
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n/an/a 3.34E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65857
PNG
(3-(4-benzoxyphenoxy)propyl-cyclopentyl-amine;oxali...)
Show SMILES C(CNC1CCCC1)COc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H27NO2/c1-2-7-18(8-3-1)17-24-21-13-11-20(12-14-21)23-16-6-15-22-19-9-4-5-10-19/h1-3,7-8,11-14,19,22H,4-6,9-10,15-17H2
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n/an/a 3.35E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65855
PNG
((4-methoxyphenyl)-(4-quinolyl)amine;hydrochloride ...)
Show SMILES COc1ccc(Nc2ccnc3ccccc23)cc1
Show InChI InChI=1S/C16H14N2O/c1-19-13-8-6-12(7-9-13)18-16-10-11-17-15-5-3-2-4-14(15)16/h2-11H,1H3,(H,17,18)
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n/an/a 3.40E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65873
PNG
((3-bromo-4-methoxy-benzyl)-homopiperonyl-amine;oxa...)
Show SMILES COc1ccc(CNCCc2ccc3OCOc3c2)cc1Br
Show InChI InChI=1S/C17H18BrNO3/c1-20-15-4-3-13(8-14(15)18)10-19-7-6-12-2-5-16-17(9-12)22-11-21-16/h2-5,8-9,19H,6-7,10-11H2,1H3
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n/an/a 3.47E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65856
PNG
(3-chloranyl-4-(1-ethylbenzimidazol-2-yl)sulfanyl-a...)
Show SMILES CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc12
Show InChI InChI=1S/C15H14ClN3S/c1-2-19-13-6-4-3-5-12(13)18-15(19)20-14-8-7-10(17)9-11(14)16/h3-9H,2,17H2,1H3
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n/an/a 3.56E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65862
PNG
(2-[(2,4-dichlorobenzylidene)amino]guanidine | 2-[(...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(Cl)cc1Cl |w:4.3|
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-5(7(10)3-6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)
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n/an/a 3.76E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65867
PNG
((1-benzyl-4-piperidyl)-(4-chlorobenzyl)amine | 1-b...)
Show SMILES Clc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C19H23ClN2/c20-18-8-6-16(7-9-18)14-21-19-10-12-22(13-11-19)15-17-4-2-1-3-5-17/h1-9,19,21H,10-15H2
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n/an/a 3.77E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65860
PNG
(4-(methylthio)-N-(1-phenylethyl)benzenesulfonamide...)
Show SMILES CSc1ccc(cc1)S(=O)(=O)NC(C)c1ccccc1
Show InChI InChI=1S/C15H17NO2S2/c1-12(13-6-4-3-5-7-13)16-20(17,18)15-10-8-14(19-2)9-11-15/h3-12,16H,1-2H3
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n/an/a 4.30E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65869
PNG
((2,8-Dimethyl-quinolin-4-yl)-p-tolyl-amine | (2,8-...)
Show SMILES Cc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C18H18N2/c1-12-7-9-15(10-8-12)20-17-11-14(3)19-18-13(2)5-4-6-16(17)18/h4-11H,1-3H3,(H,19,20)
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n/an/a 4.31E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65854
PNG
(4-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]s...)
Show SMILES CCn1c(COc2ccccc2)nnc1SCc1ccc(cc1)C#N
Show InChI InChI=1S/C19H18N4OS/c1-2-23-18(13-24-17-6-4-3-5-7-17)21-22-19(23)25-14-16-10-8-15(12-20)9-11-16/h3-11H,2,13-14H2,1H3
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n/an/a 4.83E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65864
PNG
(1-adamantyl-(1-propyl-4-piperidyl)amine | MLS00097...)
Show SMILES [H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC1CCN(CCC)CC1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
Show InChI InChI=1S/C18H32N2/c1-2-5-20-6-3-17(4-7-20)19-18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17,19H,2-13H2,1H3
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n/an/a 5.42E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
Inward rectifier potassium channel 2


(Mus musculus)		BDBM65866
PNG
(1-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-qu...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C15H14FNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2
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UniChem

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PCBioAssay
n/an/a 5.85E+4n/an/an/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source: Johns Hopkins Ion Channel Center (JHICC) BioAssay Type: Confirmatory, Confirmatory Screening, Multiple Concentration Activity Observed. ...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23R0R98
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%