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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'bleich' and Initial = 'm'   
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
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106236
PNG
((3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099582
PNG
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)
Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106233
PNG
(CHEMBL124308 | N-(6-Benzyloxy-3-hydroxy-2,2-dimeth...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12)S(C)(=O)=O
Show InChI InChI=1S/C20H25NO5S/c1-20(2)19(22)18(21(3)27(4,23)24)16-12-15(10-11-17(16)26-20)25-13-14-8-6-5-7-9-14/h5-12,18-19,22H,13H2,1-4H3
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n/an/a 200n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106231
PNG
(CHEMBL340910 | N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3
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n/an/a 240n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106232
PNG
(CHEMBL125307 | N-(6-Butoxy-3-hydroxy-2,2-dimethyl-...)
Show SMILES CCCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C17H27NO5S/c1-6-7-10-22-12-8-9-14-13(11-12)15(18(4)24(5,20)21)16(19)17(2,3)23-14/h8-9,11,15-16,19H,6-7,10H2,1-5H3
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106237
PNG
((3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m1/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106234
PNG
((3S,4R)-(+)-N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-tri...)
Show SMILES CN([C@H]1[C@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O
Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m1/s1
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Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106228
PNG
((3R,4S)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m0/s1
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n/an/a 700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106235
PNG
(CHEMBL124810 | N-(3-Hydroxy-2,2-dimethyl-6-propoxy...)
Show SMILES CCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C16H25NO5S/c1-6-9-21-11-7-8-13-12(10-11)14(17(4)23(5,19)20)15(18)16(2,3)22-13/h7-8,10,14-15,18H,6,9H2,1-5H3
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n/an/a 900n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106226
PNG
(CHEMBL338171 | N-(6-Chloro-3-hydroxy-2,2-dimethyl-...)
Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(Cl)cc12)S(C)(=O)=O
Show InChI InChI=1S/C13H18ClNO4S/c1-13(2)12(16)11(15(3)20(4,17)18)9-7-8(14)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106229
PNG
(CHEMBL127435 | Ethanesulfonic acid (6-fluoro-3-hyd...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106223
PNG
((3S,4R)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(F)cc12
Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106224
PNG
(CHEMBL125259 | Ethanesulfonic acid (3-hydroxy-2,2-...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccccc12
Show InChI InChI=1S/C14H21NO4S/c1-5-20(17,18)15(4)12-10-8-6-7-9-11(10)19-14(2,3)13(12)16/h6-9,12-13,16H,5H2,1-4H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106227
PNG
((3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051116
PNG
(CHEMBL3318284)
Show SMILES [H][C@]12[C@@H](C)[C@H](O)C[C@@H](O)[C@@]1(C)C=C(C)[C@H]([C@@H]2\C=C(/C)C(O)=O)C(C)=CC[C@H](O)C[C@@H](O)[C@H](C)[C@@H](O)C(C)C |r,t:12|
Show InChI InChI=1/C30H50O7/c1-15(2)28(35)20(7)23(32)12-21(31)10-9-16(3)26-18(5)14-30(8)25(34)13-24(33)19(6)27(30)22(26)11-17(4)29(36)37/h9,11,14-15,19-28,31-35H,10,12-13H2,1-8H3,(H,36,37)/b16-9+,17-11+/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-,30+/s2
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin)


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106230
PNG
(CHEMBL338273 | Ethanesulfonic acid (6-cyano-3-hydr...)
Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051122
PNG
(CHEMBL3318290)
Show SMILES COc1cc2nc(nc(NCCCCCN(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C21H33N5O2/c1-25(2)11-7-5-6-10-22-20-16-14-18(27-3)19(28-4)15-17(16)23-21(24-20)26-12-8-9-13-26/h14-15H,5-13H2,1-4H3,(H,22,23,24)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051121
PNG
(CHEMBL3318289)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C24H37N5O2/c1-30-21-17-19-20(18-22(21)31-2)26-24(29-15-9-10-16-29)27-23(19)25-11-5-3-6-12-28-13-7-4-8-14-28/h17-18H,3-16H2,1-2H3,(H,25,26,27)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of methyltransferase activity of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli assessed as decrease in methylation...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051133
PNG
(CHEMBL3318301)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C
Show InChI InChI=1S/C21H33N5O2/c1-25(2)21-23-17-15-19(28-4)18(27-3)14-16(17)20(24-21)22-10-6-5-7-11-26-12-8-9-13-26/h14-15H,5-13H2,1-4H3,(H,22,23,24)
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051123
PNG
(CHEMBL3318291)
Show SMILES CCN(CC)CCCCCNc1nc(nc2cc(OC)c(OC)cc12)N1CCCC1
Show InChI InChI=1S/C23H37N5O2/c1-5-27(6-2)13-9-7-8-12-24-22-18-16-20(29-3)21(30-4)17-19(18)25-23(26-22)28-14-10-11-15-28/h16-17H,5-15H2,1-4H3,(H,24,25,26)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051127
PNG
(CHEMBL3318295)
Show SMILES CCN1CCN(CCCCCNc2nc(nc3cc(OC)c(OC)cc23)N2CCCC2)CC1
Show InChI InChI=1S/C25H40N6O2/c1-4-29-14-16-30(17-15-29)11-7-5-6-10-26-24-20-18-22(32-2)23(33-3)19-21(20)27-25(28-24)31-12-8-9-13-31/h18-19H,4-17H2,1-3H3,(H,26,27,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051126
PNG
(CHEMBL3318294)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(C)CC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C24H38N6O2/c1-28-13-15-29(16-14-28)10-6-4-5-9-25-23-19-17-21(31-2)22(32-3)18-20(19)26-24(27-23)30-11-7-8-12-30/h17-18H,4-16H2,1-3H3,(H,25,26,27)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051125
PNG
(CHEMBL3318293)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCNCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H36N6O2/c1-30-20-16-18-19(17-21(20)31-2)26-23(29-12-6-7-13-29)27-22(18)25-8-4-3-5-11-28-14-9-24-10-15-28/h16-17,24H,3-15H2,1-2H3,(H,25,26,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051128
PNG
(CHEMBL3318296)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C26H42N6O2/c1-20(2)31-16-14-30(15-17-31)11-7-5-6-10-27-25-21-18-23(33-3)24(34-4)19-22(21)28-26(29-25)32-12-8-9-13-32/h18-20H,5-17H2,1-4H3,(H,27,28,29)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051124
PNG
(CHEMBL3318292)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C28H44N6O4/c1-28(2,3)38-27(35)34-17-15-32(16-18-34)12-8-6-7-11-29-25-21-19-23(36-4)24(37-5)20-22(21)30-26(31-25)33-13-9-10-14-33/h19-20H,6-18H2,1-5H3,(H,29,30,31)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051119
PNG
(CHEMBL3318287)
Show SMILES COc1cc2nc(nc(NCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C21H31N5O2/c1-27-18-14-16-17(15-19(18)28-2)23-21(26-12-5-6-13-26)24-20(16)22-8-7-11-25-9-3-4-10-25/h14-15H,3-13H2,1-2H3,(H,22,23,24)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051386
PNG
(CHEMBL3318305)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCCC1
Show InChI InChI=1S/C26H41N5O2/c1-30(20-12-6-4-7-13-20)26-28-22-19-24(33-3)23(32-2)18-21(22)25(29-26)27-14-8-5-9-15-31-16-10-11-17-31/h18-20H,4-17H2,1-3H3,(H,27,28,29)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051384
PNG
(CHEMBL3318304)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N(C)C1CCCC1
Show InChI InChI=1S/C25H39N5O2/c1-29(19-11-5-6-12-19)25-27-21-18-23(32-3)22(31-2)17-20(21)24(28-25)26-13-7-4-8-14-30-15-9-10-16-30/h17-19H,4-16H2,1-3H3,(H,26,27,28)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a 3.77E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of FITC-labeled H4K20me (1-24) from SETD8 (unknown origin) catalytic domain expressed in Escherichia coli by fluorescence polarization a...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051120
PNG
(CHEMBL3318288)
Show SMILES COc1cc2nc(nc(NCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C22H33N5O2/c1-28-19-15-17-18(16-20(19)29-2)24-22(27-13-7-8-14-27)25-21(17)23-9-3-4-10-26-11-5-6-12-26/h15-16H,3-14H2,1-2H3,(H,23,24,25)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50099567
PNG
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)
Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1
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n/an/a 4.45E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1)


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051129
PNG
(CHEMBL3318297)
Show SMILES COc1cc2nc(nc(NCCCCC(=O)N3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H33N5O3/c1-30-19-15-17-18(16-20(19)31-2)25-23(28-13-7-8-14-28)26-22(17)24-10-4-3-9-21(29)27-11-5-6-12-27/h15-16H,3-14H2,1-2H3,(H,24,25,26)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1


(Homo sapiens (Human))
BDBM50106225
PNG
(Butane-1-sulfonic acid (6-cyano-3-hydroxy-2,2-dime...)
Show SMILES CCCCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N
Show InChI InChI=1S/C17H24N2O4S/c1-5-6-9-24(21,22)19(4)15-13-10-12(11-18)7-8-14(13)23-17(2,3)16(15)20/h7-8,10,15-16,20H,5-6,9H2,1-4H3
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n/an/a 5.80E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes


J Med Chem 44: 3831-7 (2001)


BindingDB Entry DOI: 10.7270/Q26H4GPX
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051118
PNG
(CHEMBL3318286)
Show SMILES COc1cc2nc(nc(NCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C20H29N5O2/c1-26-17-13-15-16(14-18(17)27-2)22-20(25-10-5-6-11-25)23-19(15)21-7-12-24-8-3-4-9-24/h13-14H,3-12H2,1-2H3,(H,21,22,23)
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 8 (SetD8)


(Homo sapiens (Human))
BDBM50051131
PNG
(CHEMBL3318299)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCCC1
Show InChI InChI=1S/C24H37N5O2/c1-30-21-17-19-20(18-22(21)31-2)26-24(29-15-7-4-8-16-29)27-23(19)25-11-5-3-6-12-28-13-9-10-14-28/h17-18H,3-16H2,1-2H3,(H,25,26,27)
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n/an/a 9.40E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H2 (SUV4-20H2)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV420H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Protein lysine methyltransferase SUV4-20H1 (SUV4-20H1)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV420H1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 (unknown origin) assessed as using dsDNA substrate by radioactive assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MLL1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by ...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (unknown origin) by filter-based assay


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETD7 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H2 (Suv39H2)


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV39H2 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate ...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of GLP (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate by r...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETDB1


(Homo sapiens (Human))
BDBM50051117
PNG
(CHEMBL3318285)
Show SMILES COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
Show InChI InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SETDB1 (unknown origin) assessed as incorporation of tritium-labeled methyl group to lysine or arginine residues of peptide substrate b...


J Med Chem 57: 6822-33 (2014)


Article DOI: 10.1021/jm500871s
BindingDB Entry DOI: 10.7270/Q2J9681Q
More data for this
Ligand-Target Pair
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