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Compile Data Set for Download or QSAR

Found 73 hits from Albert-Ludwigs-University of Freiburg   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calpain 2


(Sus scrofa)
BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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1.90E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of calpain 1


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Calpain 2


(Sus scrofa)
BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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4.20E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of Calpain 2


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50074051
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25-,26?,27?,36?/m0/s1
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9.30E+4n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50074050
PNG
(3-(1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl)-1-...)
Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C33H43N3O8/c1-7-42-31(40)27-26(28(37)34-25(18-21(2)3)30(39)43-20-23-16-12-9-13-17-23)36(27)29(38)24(19-22-14-10-8-11-15-22)35-32(41)44-33(4,5)6/h8-17,21,24-27H,7,18-20H2,1-6H3,(H,34,37)(H,35,41)/t24-,25+,26?,27?,36?/m0/s1
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1.37E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50074052
PNG
(1-(2-Benzyloxycarbonylamino-propionyl)-aziridine-2...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)OCC
Show InChI InChI=1S/C19H24N2O7/c1-4-26-17(23)14-15(18(24)27-5-2)21(14)16(22)12(3)20-19(25)28-11-13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3,(H,20,25)/t12-,14?,15?,21?/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of Cathepsin H


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50074048
PNG
(1-((S)-2-tert-Butoxycarbonylamino-3-phenyl-propion...)
Show SMILES CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OCC
Show InChI InChI=1S/C22H30N2O7/c1-6-29-19(26)16-17(20(27)30-7-2)24(16)18(25)15(13-14-11-9-8-10-12-14)23-21(28)31-22(3,4)5/h8-12,15-17H,6-7,13H2,1-5H3,(H,23,28)/t15-,16?,17?,24?/m0/s1
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2.10E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition constant for the non-time dependent inhibition of Cathepsin H.


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Cathepsin (H and K)


(Homo sapiens)
BDBM50074049
PNG
(3-((S)-1-Benzyloxycarbonyl-3-methyl-butylcarbamoyl...)
Show SMILES CCOC(=O)C1NC1C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C19H26N2O5/c1-4-25-19(24)16-15(21-16)17(22)20-14(10-12(2)3)18(23)26-11-13-8-6-5-7-9-13/h5-9,12,14-16,21H,4,10-11H2,1-3H3,(H,20,22)/t14-,15?,16?/m0/s1
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2.60E+5n/an/an/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition constant for the non time dependent inhibition of cathepsin H


J Med Chem 42: 560-72 (1999)


Article DOI: 10.1021/jm981061z
BindingDB Entry DOI: 10.7270/Q2M907TZ
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 720n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 860n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50206427
PNG
(7,7'-carbonylbis(azanediyl)bis(4-hydroxynaphthalen...)
Show SMILES Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(O)(=O)=O)ccc12)S(O)(=O)=O
Show InChI InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1 by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346713
PNG
(CHEMBL1797447)
Show SMILES ClCC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)CCl)cc1
Show InChI InChI=1S/C16H14Cl2N2O4S/c17-9-15(21)19-11-1-5-13(6-2-11)25(23,24)14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346554
PNG
(CHEMBL106011)
Show SMILES Fc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7FN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 1.64E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50210465
PNG
(CHEMBL227725 | NSC-34238 | allantodapsone)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCN2C(=O)NC(=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1 by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346556
PNG
(CHEMBL1795611)
Show SMILES Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C13H9N3O3S/c1-8-6-11-12(14-7-8)20-15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346561
PNG
(CHEMBL1795604)
Show SMILES Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C13H9BrN2OS/c1-8-6-11-12(15-7-8)18-16(13(11)17)10-4-2-9(14)3-5-10/h2-7H,1H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 2.99E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346555
PNG
(CHEMBL1795609)
Show SMILES COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H9N3O4S/c1-20-10-4-2-8(3-5-10)15-13(17)11-6-9(16(18)19)7-14-12(11)21-15/h2-7H,1H3
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n/an/a 3.42E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346567
PNG
(CHEMBL318367)
Show SMILES Clc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7ClN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 3.53E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346579
PNG
(CHEMBL1795800)
Show SMILES Cc1ccc(cc1)-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-2-5-11(6-3-9)16-14(17)12-7-4-10(15)8-13(12)18-16/h2-8H,1H3
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n/an/a 3.69E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346557
PNG
(CHEMBL99137)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346562
PNG
(CHEMBL101422)
Show SMILES Brc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H7BrN2OS/c13-8-3-5-9(6-4-8)15-12(16)10-2-1-7-14-11(10)17-15/h1-7H
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n/an/a 4.43E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346568
PNG
(CHEMBL1795614)
Show SMILES Clc1ccc(cc1Cl)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6Cl2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 4.57E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346570
PNG
(CHEMBL1795616)
Show SMILES Cc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)15-13(16)11-3-2-8-14-12(11)17-15/h2-8H,1H3
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n/an/a 4.63E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346580
PNG
(CHEMBL1795796)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)-n1sccc1=O
Show InChI InChI=1S/C9H5ClN2O3S/c10-7-2-1-6(5-8(7)12(14)15)11-9(13)3-4-16-11/h1-5H
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n/an/a 4.80E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346563
PNG
(CHEMBL1795605)
Show SMILES [O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1
Show InChI InChI=1S/C12H6BrN3O3S/c13-7-1-3-8(4-2-7)15-12(17)10-5-9(16(18)19)6-14-11(10)20-15/h1-6H
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n/an/a 4.91E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346718
PNG
(CHEMBL1797553)
Show SMILES Clc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C20H19ClN2O4S2/c21-17-6-10-20(11-7-17)29(26,27)23-18-8-12-19(13-9-18)28(24,25)22-15-14-16-4-2-1-3-5-16/h1-13,22-23H,14-15H2
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n/an/a 5.00E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346571
PNG
(CHEMBL102387)
Show SMILES COc1cccc(c1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-5-2-4-9(8-10)15-13(16)11-6-3-7-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.03E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346565
PNG
(CHEMBL95284)
Show SMILES COc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C13H10N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)11-3-2-8-14-12(11)18-15/h2-8H,1H3
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n/an/a 5.71E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346569
PNG
(CHEMBL1795615)
Show SMILES Fc1ccc(cc1F)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C12H6F2N2OS/c13-9-4-3-7(6-10(9)14)16-12(17)8-2-1-5-15-11(8)18-16/h1-6H
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n/an/a 5.90E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346581
PNG
(CHEMBL1795612)
Show SMILES COc1ccc(cc1)-n1sc2ncc(C)cc2c1=O
Show InChI InChI=1S/C14H12N2O2S/c1-9-7-12-13(15-8-9)19-16(14(12)17)10-3-5-11(18-2)6-4-10/h3-8H,1-2H3
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n/an/a 6.51E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346574
PNG
(CHEMBL1795619)
Show SMILES Clc1ccc(Cn2sc3ncccc3c2=O)cc1Cl
Show InChI InChI=1S/C13H8Cl2N2OS/c14-10-4-3-8(6-11(10)15)7-17-13(18)9-2-1-5-16-12(9)19-17/h1-6H,7H2
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n/an/a 6.94E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346560
PNG
(CHEMBL1795799)
Show SMILES [O-][N+](=O)c1ccc2c(c1)sn(Cc1ccccc1)c2=O
Show InChI InChI=1S/C14H10N2O3S/c17-14-12-7-6-11(16(18)19)8-13(12)20-15(14)9-10-4-2-1-3-5-10/h1-8H,9H2
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n/an/a 7.66E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50037078
PNG
(2-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one | 2...)
Show SMILES O=c1n(sc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C12H8N2OS/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h1-8H
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n/an/a 7.85E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
BDBM50210465
PNG
(CHEMBL227725 | NSC-34238 | allantodapsone)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NCN2C(=O)NC(=O)C(=O)C2=O)cc1
Show InChI InChI=1S/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)
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n/an/a 8.30E+3n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans RmtA by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346716
PNG
(CHEMBL1797454)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C21H18Cl2N2O3S/c22-19-11-6-16(14-20(19)23)21(26)25-17-7-9-18(10-8-17)29(27,28)24-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,25,26)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346558
PNG
(CHEMBL1795606)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O5S/c17-12-10-5-9(16(20)21)6-13-11(10)22-14(12)7-1-3-8(4-2-7)15(18)19/h1-6H
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n/an/a 1.18E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346710
PNG
(CHEMBL1797443)
Show SMILES Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N2O3S/c26-21-10-14-23(15-11-21)31(29,30)24-16-12-22(13-17-24)27-25(28)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-17H,26H2,(H,27,28)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346564
PNG
(CHEMBL1795607)
Show SMILES Cc1cnc2sn(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1
Show InChI InChI=1S/C19H14N2O2S/c1-13-11-17-18(20-12-13)24-21(19(17)22)14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-12H,1H3
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n/an/a 1.29E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346711
PNG
(CHEMBL1797445)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C26H20N2O4S/c29-25(19-7-3-1-4-8-19)27-21-11-15-23(16-12-21)33(31,32)24-17-13-22(14-18-24)28-26(30)20-9-5-2-6-10-20/h1-18H,(H,27,29)(H,28,30)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346556
PNG
(CHEMBL1795611)
Show SMILES Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1
Show InChI InChI=1S/C13H9N3O3S/c1-8-6-11-12(14-7-8)20-15(13(11)17)9-2-4-10(5-3-9)16(18)19/h2-7H,1H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346558
PNG
(CHEMBL1795606)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O
Show InChI InChI=1S/C12H6N4O5S/c17-12-10-5-9(16(20)21)6-13-11(10)22-14(12)7-1-3-8(4-2-7)15(18)19/h1-6H
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n/an/a 1.58E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346566
PNG
(CHEMBL1795610)
Show SMILES CCCCc1ccc(cc1)-n1sc2ncccc2c1=O
Show InChI InChI=1S/C16H16N2OS/c1-2-3-5-12-7-9-13(10-8-12)18-16(19)14-6-4-11-17-15(14)20-18/h4,6-11H,2-3,5H2,1H3
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n/an/a 1.59E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346573
PNG
(CHEMBL1795618)
Show SMILES Clc1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C13H9ClN2OS/c14-10-5-3-9(4-6-10)8-16-13(17)11-2-1-7-15-12(11)18-16/h1-7H,8H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346578
PNG
(CHEMBL1795623)
Show SMILES COc1cccc(Cn2sc3ncccc3c2=O)c1
Show InChI InChI=1S/C14H12N2O2S/c1-18-11-5-2-4-10(8-11)9-16-14(17)12-6-3-7-15-13(12)19-16/h2-8H,9H2,1H3
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n/an/a 2.22E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346572
PNG
(CHEMBL98663)
Show SMILES O=c1n(Cc2ccccc2)sc2ncccc12
Show InChI InChI=1S/C13H10N2OS/c16-13-11-7-4-8-14-12(11)17-15(13)9-10-5-2-1-3-6-10/h1-8H,9H2
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n/an/a 2.30E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346559
PNG
(CHEMBL1795624)
Show SMILES FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H9F3N2OS/c15-14(16,17)10-5-3-9(4-6-10)8-19-13(20)11-2-1-7-18-12(11)21-19/h1-7H,8H2
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n/an/a 2.55E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50346719
PNG
(CHEMBL1269351)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
Show InChI InChI=1S/C14H16N2O2S/c15-13-6-8-14(9-7-13)19(17,18)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11,15H2
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n/an/a 2.67E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PRMT1-mediated arginine methylation using nonhistone protein Npl3 substrate by ELISA


Bioorg Med Chem 19: 3717-31 (2011)


Article DOI: 10.1016/j.bmc.2011.02.032
BindingDB Entry DOI: 10.7270/Q28P60VG
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens)
BDBM50346577
PNG
(CHEMBL1795622)
Show SMILES Cc1ccc(Cn2sc3ncccc3c2=O)cc1
Show InChI InChI=1S/C14H12N2OS/c1-10-4-6-11(7-5-10)9-16-14(17)12-3-2-8-15-13(12)18-16/h2-8H,9H2,1H3
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n/an/a 2.79E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of histone acetylase activity of human recombinant PCAF expressed in Escherichia coli using biotinylated oligopeptide sequences from histo...


Bioorg Med Chem 19: 3678-89 (2011)


Article DOI: 10.1016/j.bmc.2011.01.063
BindingDB Entry DOI: 10.7270/Q2NV9JKS
More data for this
Ligand-Target Pair
RmtA


(Emericella nidulans)
BDBM50210461
PNG
((stilbamidine)4-[2-[4-amino(imino)methylphenyl]-(E...)
Show SMILES NC(=N)c1ccc(\C=C\c2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C16H16N4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H3,17,18)(H3,19,20)/b2-1+
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n/an/a 2.99E+4n/an/an/an/an/an/a



Albert-Ludwigs-University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of Aspergillus nidulans RmtA by TRF assay


J Med Chem 50: 2319-25 (2007)


Article DOI: 10.1021/jm061250e
BindingDB Entry DOI: 10.7270/Q2862H8Q
More data for this
Ligand-Target Pair
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