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Compile Data Set for Download or QSAR

Found 538 hits with Last Name = 'elliott' and Initial = 'm'   
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
GRIA3


(RAT)
BDBM50096326
PNG
(6-{(E)-2-[3-(2-Chloro-phenyl)-6-fluoro-4-oxo-3,4-d...)
Show SMILES Fc1ccc2nc(\C=C\c3cccc(n3)C#N)n(-c3ccccc3Cl)c(=O)c2c1
Show InChI InChI=1S/C22H12ClFN4O/c23-18-6-1-2-7-20(18)28-21(11-9-15-4-3-5-16(13-25)26-15)27-19-10-8-14(24)12-17(19)22(28)29/h1-12H/b11-9+
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3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM50096327
PNG
((R)-3-(2-Chloro-phenyl)-2-[(E)-2-(6-diethylaminome...)
Show SMILES CCN(CC)Cc1cccc(\C=C\c2nc3ccc(F)cc3c(=O)n2-c2ccccc2Cl)n1
Show InChI InChI=1S/C26H24ClFN4O/c1-3-31(4-2)17-20-9-7-8-19(29-20)13-15-25-30-23-14-12-18(28)16-21(23)26(33)32(25)24-11-6-5-10-22(24)27/h5-16H,3-4,17H2,1-2H3/b15-13+
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25n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114942
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluo...)
Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C34H35F7N2O/c1-22(25-19-27(33(36,37)38)21-28(20-25)34(39,40)41)31(44)42-32(26-5-3-2-4-6-26)15-11-30(12-16-32)43-17-13-24(14-18-43)23-7-9-29(35)10-8-23/h2-10,19-22,24,30H,11-18H2,1H3,(H,42,44)/t22?,30-,32-
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43n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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50n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
GRIA3


(RAT)
BDBM85710
PNG
(CP-471236)
Show SMILES CC1NC(CS1)\C=C\c1nc2ccccc2c(=O)n1-c1cccnc1C
Show InChI InChI=1S/C20H20N4OS/c1-13-18(8-5-11-21-13)24-19(10-9-15-12-26-14(2)22-15)23-17-7-4-3-6-16(17)20(24)25/h3-11,14-15,22H,12H2,1-2H3/b10-9+
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57n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by PDSP Ki Database




Mol Pharmacol 58: 1310-7 (2000)


Article DOI: 10.1124/mol.58.6.1310
BindingDB Entry DOI: 10.7270/Q24X56B1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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60n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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80n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194574
PNG
(CHEMBL385738 | N'-[3-(2-dimethylamino-ethoxy)-2-ph...)
Show SMILES COC(=O)N(NC(=O)c1c(OCCN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H28N4O4/c1-31(2)18-19-36-26-24(27(33)30-32(28(34)35-3)21-14-8-5-9-15-21)22-16-10-11-17-23(22)29-25(26)20-12-6-4-7-13-20/h4-17H,18-19H2,1-3H3,(H,30,33)
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89n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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110n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11319
PNG
((5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)ace...)
Show SMILES OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
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170 -38.2 390n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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190n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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230n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114962
PNG
(CHEMBL3085130 | N-[4-(4-Benzyl-4-hydroxy-piperidin...)
Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC(O)(Cc2ccccc2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C35H38F6N2O2/c1-24(26-20-28(34(36,37)38)22-29(21-26)35(39,40)41)31(44)42-33(27-10-6-3-7-11-27)14-12-30(13-15-33)43-18-16-32(45,17-19-43)23-25-8-4-2-5-9-25/h2-11,20-22,24,30,45H,12-19,23H2,1H3,(H,42,44)
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260n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194554
PNG
(CHEMBL374438 | N'-[3-(4-methyl-piperazin-1-ylmethy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(C)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H31N5O3/c1-33-17-19-34(20-18-33)21-25-27(29(36)32-35(30(37)38-2)23-13-7-4-8-14-23)24-15-9-10-16-26(24)31-28(25)22-11-5-3-6-12-22/h3-16H,17-21H2,1-2H3,(H,32,36)
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320n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179771
PNG
(3-(3,5-bis-trifluoromethyl-phenyl)-1-[4-(2-oxa-8-a...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1
Show InChI InChI=1S/C32H36F6N2O2/c33-31(34,35)24-18-22(19-25(20-24)32(36,37)38)27-8-14-40(28(27)41)30(23-4-2-1-3-5-23)9-6-26(7-10-30)39-15-11-29(12-16-39)13-17-42-21-29/h1-5,18-20,26-27H,6-17,21H2/t26-,27?,30-
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327n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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330n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179768
PNG
(3-(3,5-bis-trifluoromethyl-phenyl)-3-methyl-1-[4-(...)
Show SMILES CC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H38F6N2O2/c1-29(24-19-25(32(34,35)36)21-26(20-24)33(37,38)39)11-17-41(28(29)42)31(23-5-3-2-4-6-23)9-7-27(8-10-31)40-15-12-30(13-16-40)14-18-43-22-30/h2-6,19-21,27H,7-18,22H2,1H3/t27-,29?,31-
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364n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Sgk1


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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380n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11323
PNG
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)
Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br
Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
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400 -36.2 500n/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114954
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxo-1-o...)
Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCC(=O)O1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O3/c1-20(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)29(42)39-30(23-5-3-2-4-6-23)13-9-26(10-14-30)40-15-11-21(12-16-40)27-7-8-28(41)43-27/h2-6,17-21,26-27H,7-16H2,1H3,(H,39,42)
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400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114955
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-methyl-...)
Show SMILES CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCC(C)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H34F6N2O/c1-19-10-14-37(15-11-19)25-8-12-27(13-9-25,22-6-4-3-5-7-22)36-26(38)20(2)21-16-23(28(30,31)32)18-24(17-21)29(33,34)35/h3-7,16-20,25H,8-15H2,1-2H3,(H,36,38)/t20?,25-,27+
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460n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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470n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM7262
PNG
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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470n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114959
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1-oxo-2-o...)
Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC(CC1)C1CCOC1=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O3/c1-20(22-17-24(31(33,34)35)19-25(18-22)32(36,37)38)28(41)39-30(23-5-3-2-4-6-23)12-7-26(8-13-30)40-14-9-21(10-15-40)27-11-16-43-29(27)42/h2-6,17-21,26-27H,7-16H2,1H3,(H,39,41)
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490n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194557
PNG
(CHEMBL221238 | N-phenyl-N'-{2-phenyl-3-[4-(tetrahy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C2CCSCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H37N5O3S/c1-42-34(41)39(27-12-6-3-7-13-27)36-33(40)31-28-14-8-9-15-30(28)35-32(25-10-4-2-5-11-25)29(31)24-37-18-20-38(21-19-37)26-16-22-43-23-17-26/h2-15,26H,16-24H2,1H3,(H,36,40)
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510n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194563
PNG
(CHEMBL222072 | N-phenyl-N'-(2-phenyl-3-piperidin-4...)
Show SMILES COC(=O)N(NC(=O)c1c(CC2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H30N4O3/c1-37-30(36)34(23-12-6-3-7-13-23)33-29(35)27-24-14-8-9-15-26(24)32-28(22-10-4-2-5-11-22)25(27)20-21-16-18-31-19-17-21/h2-15,21,31H,16-20H2,1H3,(H,33,35)
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520n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194564
PNG
(CHEMBL374307 | N'-[3-(4-benzyl-piperazin-1-ylmethy...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H35N5O3/c1-44-36(43)41(29-17-9-4-10-18-29)38-35(42)33-30-19-11-12-20-32(30)37-34(28-15-7-3-8-16-28)31(33)26-40-23-21-39(22-24-40)25-27-13-5-2-6-14-27/h2-20H,21-26H2,1H3,(H,38,42)
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530n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7393
PNG
(3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...)
Show SMILES O=Nc1c([nH]c2ccccc12)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,13,17H,(H,18,20)
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590n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7266
PNG
(14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)
Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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670n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114963
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2-oxa-8-a...)
Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-17-24(30(32,33)34)19-25(18-22)31(35,36)37)27(40)38-29(23-5-3-2-4-6-23)9-7-26(8-10-29)39-14-11-28(12-15-39)13-16-41-20-28/h2-6,17-19,21,26H,7-16,20H2,1H3,(H,38,40)
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710n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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730n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114960
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1-oxa-8-a...)
Show SMILES CC(C(=O)N[C@]1(CCC(CC1)N1CCC2(CCCO2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-18-24(30(32,33)34)20-25(19-22)31(35,36)37)27(40)38-29(23-6-3-2-4-7-23)11-8-26(9-12-29)39-15-13-28(14-16-39)10-5-17-41-28/h2-4,6-7,18-21,26H,5,8-17H2,1H3,(H,38,40)
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730n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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Article
PubMed
740 -34.6n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179773
PNG
(2-(3,5-bis-trifluoromethyl-phenyl)-N-[4-(2-oxa-8-a...)
Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C31H36F6N2O2/c1-21(22-17-24(30(32,33)34)19-25(18-22)31(35,36)37)27(40)38-29(23-5-3-2-4-6-23)9-7-26(8-10-29)39-14-11-28(12-15-39)13-16-41-20-28/h2-6,17-19,21,26H,7-16,20H2,1H3,(H,38,40)/t21?,26-,29-
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787n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179772
PNG
(3-(3,5-bis-trifluoromethyl-phenyl)-1-[4-(2-oxa-8-a...)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1
Show InChI InChI=1S/C33H38F6N2O2/c34-32(35,36)25-19-23(20-26(21-25)33(37,38)39)28-7-4-15-41(29(28)42)31(24-5-2-1-3-6-24)10-8-27(9-11-31)40-16-12-30(13-17-40)14-18-43-22-30/h1-3,5-6,19-21,27-28H,4,7-18,22H2/t27-,28?,31-
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798n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194568
PNG
(CHEMBL221299 | N-phenyl-N'-(2-phenyl-3-piperazin-1...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCNCC2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H29N5O3/c1-37-29(36)34(22-12-6-3-7-13-22)32-28(35)26-23-14-8-9-15-25(23)31-27(21-10-4-2-5-11-21)24(26)20-33-18-16-30-17-19-33/h2-15,30H,16-20H2,1H3,(H,32,35)
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840n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179770
PNG
(3-(3,5-bis-trifluoromethyl-phenyl)-3-hydroxy-1-[4-...)
Show SMILES OC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H36F6N2O3/c33-31(34,35)24-18-23(19-25(20-24)32(36,37)38)30(42)12-16-40(27(30)41)29(22-4-2-1-3-5-22)8-6-26(7-9-29)39-14-10-28(11-15-39)13-17-43-21-28/h1-5,18-20,26,42H,6-17,21H2/t26-,29-,30?
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862n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50194566
PNG
(CHEMBL218639 | N'-[3-(4-isopropyl-piperazin-1-ylme...)
Show SMILES COC(=O)N(NC(=O)c1c(CN2CCN(CC2)C(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H35N5O3/c1-23(2)36-20-18-35(19-21-36)22-27-29(31(38)34-37(32(39)40-3)25-14-8-5-9-15-25)26-16-10-11-17-28(26)33-30(27)24-12-6-4-7-13-24/h4-17,23H,18-22H2,1-3H3,(H,34,38)
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880n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells


Bioorg Med Chem Lett 16: 5752-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.085
BindingDB Entry DOI: 10.7270/Q2TD9X0S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179769
PNG
(3-(3,5-bis-trifluoromethyl-phenyl)-3-methoxy-1-[4-...)
Show SMILES COC1(CCN(C1=O)[C@]1(CC[C@@H](CC1)N1CCC2(CCOC2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H38F6N2O3/c1-43-31(24-19-25(32(34,35)36)21-26(20-24)33(37,38)39)13-17-41(28(31)42)30(23-5-3-2-4-6-23)9-7-27(8-10-30)40-15-11-29(12-16-40)14-18-44-22-29/h2-6,19-21,27H,7-18,22H2,1H3/t27-,30-,31?
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947n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114951
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(2,2-dimet...)
Show SMILES CC(C(=O)NC1(CCC(CC1)N1CCC2(CCC(C)(C)O2)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H40F6N2O2/c1-22(23-19-25(32(34,35)36)21-26(20-23)33(37,38)39)28(42)40-31(24-7-5-4-6-8-24)11-9-27(10-12-31)41-17-15-30(16-18-41)14-13-29(2,3)43-30/h4-8,19-22,27H,9-18H2,1-3H3,(H,40,42)
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950n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179777
PNG
(3-(3,5-bis(trifluoromethyl)phenyl)-1-((1r,4r)-4-(d...)
Show SMILES CN(C)[C@H]1CC[C@@](CC1)(N1CCC(C1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C26H28F6N2O/c1-33(2)21-8-11-24(12-9-21,18-6-4-3-5-7-18)34-13-10-22(23(34)35)17-14-19(25(27,28)29)16-20(15-17)26(30,31)32/h3-7,14-16,21-22H,8-13H2,1-2H3/t21-,22?,24-
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984n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of labelled MK-499 from cloned channel hERG expressed in HEK cells


Bioorg Med Chem Lett 16: 1197-201 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.111
BindingDB Entry DOI: 10.7270/Q2JM296Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114956
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(1,4-dioxa...)
Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC2(CC1)OCCO2)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C30H34F6N2O3/c1-20(21-17-23(29(31,32)33)19-24(18-21)30(34,35)36)26(39)37-27(22-5-3-2-4-6-22)9-7-25(8-10-27)38-13-11-28(12-14-38)40-15-16-41-28/h2-6,17-20,25H,7-16H2,1H3,(H,37,39)/t20?,25-,27-
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1.00E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Casein kinase I delta


(Rattus norvegicus (rat))
BDBM25116
PNG
(1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]...)
Show SMILES Cc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
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1.06E+3n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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1.18E+3 -33.5n/an/an/an/an/a7.522



University of Padova



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP/ [gam...


Biochem J 374: 639-46 (2003)


Article DOI: 10.1042/BJ20030674
BindingDB Entry DOI: 10.7270/Q2BV7DTQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114957
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-(1-phenyl-4-p...)
Show SMILES CC(C(=O)N[C@@]1(CC[C@@H](CC1)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N2O/c1-19(20-16-22(27(29,30)31)18-23(17-20)28(32,33)34)25(37)35-26(21-8-4-2-5-9-21)12-10-24(11-13-26)36-14-6-3-7-15-36/h2,4-5,8-9,16-19,24H,3,6-7,10-15H2,1H3,(H,35,37)/t19?,24-,26+
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114964
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-[4-(4-isoprop...)
Show SMILES CC(C)N1CCN(CC1)[C@H]1CC[C@@](CC1)(NC(=O)C(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H37F6N3O/c1-20(2)38-13-15-39(16-14-38)26-9-11-28(12-10-26,23-7-5-4-6-8-23)37-27(40)21(3)22-17-24(29(31,32)33)19-25(18-22)30(34,35)36/h4-8,17-21,26H,9-16H2,1-3H3,(H,37,40)/t21?,26-,28-
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1.20E+3n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


Article DOI: 10.1016/s0960-894x(02)00250-0
BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
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