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Compile Data Set for Download or QSAR

Found 5857 hits with Last Name = 'jung' and Initial = 'j'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50206002
PNG
((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50206004
PNG
((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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3.30n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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6.40n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50206005
PNG
((S)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m0/s1
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20n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human cloned dopamine D3 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206004
PNG
((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1
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46n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM23515
PNG
(CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...)
Show SMILES OC(=O)c1cccnc1
Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
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50n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells


J Med Chem 51: 5101-8 (2008)


Article DOI: 10.1021/jm800258p
BindingDB Entry DOI: 10.7270/Q2CF9PWV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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70n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206002
PNG
((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1
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80n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275943
PNG
(6-(2-(2-amino-2-oxoethyl)-2,8-diazaspiro[4.5]decan...)
Show SMILES NC(=O)CN1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H30N6O2S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)30-25(34)19-4-6-24(29-15-19)32-11-8-26(9-12-32)7-10-31(17-26)16-23(28)33/h1-6,13-15H,7-12,16-17,27H2,(H2,28,33)(H,30,34)
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97n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM79800
PNG
(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
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100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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103n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275941
PNG
(CHEMBL513250 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CCO)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H31N5O2S/c27-21-5-3-19(23-2-1-15-34-23)16-22(21)29-25(33)20-4-6-24(28-17-20)31-11-8-26(9-12-31)7-10-30(18-26)13-14-32/h1-6,15-17,32H,7-14,18,27H2,(H,29,33)
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170n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50206003
PNG
((S)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m0/s1
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225n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50206005
PNG
((S)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m0/s1
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400n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine receptor D2 long expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50206002
PNG
((R)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m1/s1
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426n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275886
PNG
(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyr...)
Show SMILES CCNC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
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460n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50206005
PNG
((S)-1-(bis(4-fluorophenyl)methyl)-4-(3-(3-(3,4-dim...)
Show SMILES COc1ccc(cc1OC)C1=NO[C@@H](CCCN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)C1 |t:11|
Show InChI InChI=1S/C31H35F2N3O3/c1-37-29-14-9-24(20-30(29)38-2)28-21-27(39-34-28)4-3-15-35-16-18-36(19-17-35)31(22-5-10-25(32)11-6-22)23-7-12-26(33)13-8-23/h5-14,20,27,31H,3-4,15-19,21H2,1-2H3/t27-/m0/s1
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483n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Hydroxycarboxylic acid receptor 2


(Homo sapiens (Human))
BDBM50273099
PNG
(3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[...)
Show SMILES C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
Show InChI InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
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505n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]nicotinic acid from human GPR109a receptor expressed in CHO cells


J Med Chem 51: 5101-8 (2008)


Article DOI: 10.1021/jm800258p
BindingDB Entry DOI: 10.7270/Q2CF9PWV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50206004
PNG
((R)-1-(3-(3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxa...)
Show SMILES CCOc1ccccc1N1CCN(CCC[C@@H]2CC(=NO2)c2ccc(OC)c(OC)c2)CC1 |c:19|
Show InChI InChI=1S/C26H35N3O4/c1-4-32-24-10-6-5-9-23(24)29-16-14-28(15-17-29)13-7-8-21-19-22(27-33-21)20-11-12-25(30-2)26(18-20)31-3/h5-6,9-12,18,21H,4,7-8,13-17,19H2,1-3H3/t21-/m1/s1
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507n/an/an/an/an/an/an/an/a



Sungshin Women's University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO cells


Eur J Med Chem 42: 1044-8 (2007)


Article DOI: 10.1016/j.ejmech.2006.12.030
BindingDB Entry DOI: 10.7270/Q2JD4WG8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275769
PNG
(CHEMBL471824 | N-(4-aminobiphenyl-3-yl)-6-(2,8-dia...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1ccccc1
Show InChI InChI=1S/C26H29N5O/c27-22-8-6-20(19-4-2-1-3-5-19)16-23(22)30-25(32)21-7-9-24(29-17-21)31-14-11-26(12-15-31)10-13-28-18-26/h1-9,16-17,28H,10-15,18,27H2,(H,30,32)
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590n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275888
PNG
(CHEMBL470798 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)c2ncccn2)CC1)-c1cccs1
Show InChI InChI=1S/C28H29N7OS/c29-22-6-4-20(24-3-1-16-37-24)17-23(22)33-26(36)21-5-7-25(32-18-21)34-13-8-28(9-14-34)10-15-35(19-28)27-30-11-2-12-31-27/h1-7,11-12,16-18H,8-10,13-15,19,29H2,(H,33,36)
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760n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275770
PNG
(CHEMBL513568 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cccs1
Show InChI InChI=1S/C24H27N5OS/c25-19-5-3-17(21-2-1-13-31-21)14-20(19)28-23(30)18-4-6-22(27-15-18)29-11-8-24(9-12-29)7-10-26-16-24/h1-6,13-15,26H,7-12,16,25H2,(H,28,30)
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790n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM56150
PNG
((6E)-4-methyl-6-[5-(2-methylphenyl)-1,2-dihydropyr...)
Show SMILES Cc1ccc(O)c(c1)-c1cc([nH]n1)-c1ccccc1C
Show InChI InChI=1S/C17H16N2O/c1-11-7-8-17(20)14(9-11)16-10-15(18-19-16)13-6-4-3-5-12(13)2/h3-10,20H,1-2H3,(H,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal His6-tagged human 12/15-LOX using arachidonic acid as substrate by Dixon plot analysis


Bioorg Med Chem 24: 1183-90 (2016)


BindingDB Entry DOI: 10.7270/Q2QJ7K44
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM79800
PNG
(5-(methylamino)-2-(1-naphthalenyl)-4-oxazolecarbon...)
Show SMILES CNc1oc(nc1C#N)-c1cccc2ccccc12
Show InChI InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
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1.20E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged human reticulocyte 12/15-lipoxygenase using arachidonic acid as substrate assessed as equilibrium co...


J Med Chem 57: 4035-48 (2014)


Article DOI: 10.1021/jm401915r
BindingDB Entry DOI: 10.7270/Q26T0P58
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275824
PNG
(CHEMBL511797 | N-(2-amino-5-(thiophen-3-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1ccsc1
Show InChI InChI=1S/C24H27N5OS/c25-20-3-1-17(19-5-12-31-15-19)13-21(20)28-23(30)18-2-4-22(27-14-18)29-10-7-24(8-11-29)6-9-26-16-24/h1-5,12-15,26H,6-11,16,25H2,(H,28,30)
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1.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275710
PNG
(CHEMBL486738 | N-(2-aminophenyl)-6-(2,3-dihydro-1H...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CC1)CNCc1ccccc21
Show InChI InChI=1S/C25H27N5O/c26-21-7-3-4-8-22(21)29-24(31)19-9-10-23(28-16-19)30-13-11-25(12-14-30)17-27-15-18-5-1-2-6-20(18)25/h1-10,16,27H,11-15,17,26H2,(H,29,31)
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1.76E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275940
PNG
(CHEMBL472261 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(F)(F)F)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H28F3N5OS/c27-26(28,29)17-33-10-7-25(16-33)8-11-34(12-9-25)23-6-4-19(15-31-23)24(35)32-21-14-18(3-5-20(21)30)22-2-1-13-36-22/h1-6,13-15H,7-12,16-17,30H2,(H,32,35)
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1.90E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275984
PNG
(6-(7-acetyl-2,7-diazaspiro[4.4]nonan-2-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(CCN(C2)c2ccc(cn2)C(=O)Nc2cc(ccc2N)-c2cccs2)C1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)29-10-8-25(15-29)9-11-30(16-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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2.79E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275942
PNG
(2-(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(O)=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H29N5O3S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)29-25(34)19-4-6-23(28-15-19)31-11-8-26(9-12-31)7-10-30(17-26)16-24(32)33/h1-6,13-15H,7-12,16-17,27H2,(H,29,34)(H,32,33)
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3.20E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275986
PNG
(6-(2-acetyl-2,7-diazaspiro[4.5]decan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCCN(C2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)30-12-10-26(16-30)9-3-11-31(17-26)24-8-6-20(15-28-24)25(33)29-22-14-19(5-7-21(22)27)23-4-2-13-34-23/h2,4-8,13-15H,3,9-12,16-17,27H2,1H3,(H,29,33)
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3.81E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275887
PNG
(CHEMBL470582 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES CS(=O)(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H29N5O3S2/c1-35(32,33)30-13-10-25(17-30)8-11-29(12-9-25)23-7-5-19(16-27-23)24(31)28-21-15-18(4-6-20(21)26)22-3-2-14-34-22/h2-7,14-16H,8-13,17,26H2,1H3,(H,28,31)
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5.21E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275985
PNG
(6-(2-acetyl-2,7-diazaspiro[3.5]nonan-7-yl)-N-(2-am...)
Show SMILES CC(=O)N1CC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C25H27N5O2S/c1-17(31)30-15-25(16-30)8-10-29(11-9-25)23-7-5-19(14-27-23)24(32)28-21-13-18(4-6-20(21)26)22-3-2-12-33-22/h2-7,12-14H,8-11,15-16,26H2,1H3,(H,28,32)
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6.30E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275362
PNG
(CHEMBL521193 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)N(CNC2=O)c1ccccc1)-c1cccs1
Show InChI InChI=1S/C29H28N6O2S/c30-23-10-8-20(25-7-4-16-38-25)17-24(23)33-27(36)21-9-11-26(31-18-21)34-14-12-29(13-15-34)28(37)32-19-35(29)22-5-2-1-3-6-22/h1-11,16-18H,12-15,19,30H2,(H,32,37)(H,33,36)
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6.33E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276077
PNG
(CHEMBL469950 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)NCNC2=O)-c1cccs1
Show InChI InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)28-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)22(31)26-14-27-23/h1-6,11-13,27H,7-10,14,24H2,(H,26,31)(H,28,30)
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7.54E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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8.62E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276075
PNG
(CHEMBL511984 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,28,31)
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8.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276076
PNG
(CHEMBL513027 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CC1)NC(=O)NC2=O)-c1cccs1
Show InChI InChI=1S/C23H22N6O3S/c24-16-5-3-14(18-2-1-11-33-18)12-17(16)26-20(30)15-4-6-19(25-13-15)29-9-7-23(8-10-29)21(31)27-22(32)28-23/h1-6,11-13H,7-10,24H2,(H,26,30)(H2,27,28,31,32)
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9.07E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276027
PNG
(CHEMBL470148 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCCC2O)CC1)-c1cccs1
Show InChI InChI=1S/C25H28N4O2S/c26-19-7-5-17(21-3-2-14-32-21)15-20(19)28-24(31)18-6-8-23(27-16-18)29-12-10-25(11-13-29)9-1-4-22(25)30/h2-3,5-8,14-16,22,30H,1,4,9-13,26H2,(H,28,31)
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9.42E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275885
PNG
(6-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCC2(C1)CCN(CC2)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)31-13-10-26(17-31)8-11-30(12-9-26)24-7-5-20(16-28-24)25(33)29-22-15-19(4-6-21(22)27)23-3-2-14-34-23/h2-7,14-16H,8-13,17,27H2,1H3,(H,29,33)
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9.79E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275827
PNG
(CHEMBL472252 | N-(2-amino-5-(1-methyl-1H-imidazol-...)
Show SMILES Cn1cnc(c1)-c1ccc(N)c(NC(=O)c2ccc(nc2)N2CCC3(CCNC3)CC2)c1
Show InChI InChI=1S/C24H29N7O/c1-30-14-21(28-16-30)17-2-4-19(25)20(12-17)29-23(32)18-3-5-22(27-13-18)31-10-7-24(8-11-31)6-9-26-15-24/h2-5,12-14,16,26H,6-11,15,25H2,1H3,(H,29,32)
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9.80E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275364
PNG
(CHEMBL486770 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(COC(=O)N2)CC1)-c1cccs1
Show InChI InChI=1S/C23H23N5O3S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)26-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-31-22(30)27-23/h1-6,11-13H,7-10,14,24H2,(H,26,29)(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276026
PNG
(CHEMBL470147 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCCC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C25H26N4O2S/c26-19-7-5-17(21-3-2-14-32-21)15-20(19)28-24(31)18-6-8-23(27-16-18)29-12-10-25(11-13-29)9-1-4-22(25)30/h2-3,5-8,14-16H,1,4,9-13,26H2,(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275826
PNG
(CHEMBL472251 | N-(2-amino-5-(1H-pyrazol-3-yl)pheny...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1)-c1cc[nH]n1
Show InChI InChI=1S/C23H27N7O/c24-18-3-1-16(19-5-9-27-29-19)13-20(18)28-22(31)17-2-4-21(26-14-17)30-11-7-23(8-12-30)6-10-25-15-23/h1-5,9,13-14,25H,6-8,10-12,15,24H2,(H,27,29)(H,28,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276025
PNG
(CHEMBL511625 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1)-c1cccs1
Show InChI InChI=1S/C28H27N5OS/c29-22-9-7-19(25-6-3-15-35-25)16-24(22)32-27(34)20-8-10-26(30-17-20)33-13-11-28(12-14-33)18-31-23-5-2-1-4-21(23)28/h1-10,15-17,31H,11-14,18,29H2,(H,32,34)
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1.03E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276074
PNG
(CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C23H23N5O2S/c24-17-5-3-15(19-2-1-11-31-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(23)30/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29)
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1.10E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275363
PNG
(CHEMBL486152 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)N2)CC1)-c1cccs1
Show InChI InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31)
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1.46E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275987
PNG
(6-(1-acetyl-1,8-diazaspiro[4.5]decan-8-yl)-N-(2-am...)
Show SMILES CC(=O)N1CCCC11CCN(CC1)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
Show InChI InChI=1S/C26H29N5O2S/c1-18(32)31-12-3-9-26(31)10-13-30(14-11-26)24-8-6-20(17-28-24)25(33)29-22-16-19(5-7-21(22)27)23-4-2-15-34-23/h2,4-8,15-17H,3,9-14,27H2,1H3,(H,29,33)
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1.67E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275709
PNG
(CHEMBL520050 | N-(2-aminophenyl)-6-(spiro[indoline...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CNc3ccccc23)CC1
Show InChI InChI=1S/C24H25N5O/c25-19-6-2-4-8-21(19)28-23(30)17-9-10-22(26-15-17)29-13-11-24(12-14-29)16-27-20-7-3-1-5-18(20)24/h1-10,15,27H,11-14,16,25H2,(H,28,30)
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1.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
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