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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'zheng' and Initial = 'yg'   
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
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50328743
PNG
(3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-...)
Show SMILES CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccccc5)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O |w:31.32,11.12|
Show InChI InChI=1S/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)
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1.71E+3n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using fluorescein-labeled H4(1-20) peptide substrate by spectrofluoro...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50397031
PNG
(CHEMBL2171190)
Show SMILES [#8]-c1cc2ccccc2cc1-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]=[#6]/[#6](/[#6]=[#6]-1)=[#7]\[#8]S(=O)(=O)c1ccccc1 |c:18,21|
Show InChI InChI=1S/C23H17N3O5S/c27-22-15-17-7-5-4-6-16(17)14-21(22)23(28)25-24-18-10-12-19(13-11-18)26-31-32(29,30)20-8-2-1-3-9-20/h1-15,27H,(H,25,28)/b24-18-,26-19+
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8.40E+3n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki intercept using Histone H4...


J Med Chem 55: 7978-87 (2012)


Article DOI: 10.1021/jm300521m
BindingDB Entry DOI: 10.7270/Q2PN96R4
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50397030
PNG
(CHEMBL2171189)
Show SMILES Oc1ccc(cc1NC(=O)c1cccc2ccccc12)C(=O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C35H24N2O5/c38-31-17-15-23(19-29(31)36-34(41)27-13-5-9-21-7-1-3-11-25(21)27)33(40)24-16-18-32(39)30(20-24)37-35(42)28-14-6-10-22-8-2-4-12-26(22)28/h1-20,38-39H,(H,36,41)(H,37,42)
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1.13E+4n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki intercept using Histone H4...


J Med Chem 55: 7978-87 (2012)


Article DOI: 10.1021/jm300521m
BindingDB Entry DOI: 10.7270/Q2PN96R4
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
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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2.56E+4n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT1-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-11) and [14C]-SAM by scintillation...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50397030
PNG
(CHEMBL2171189)
Show SMILES Oc1ccc(cc1NC(=O)c1cccc2ccccc12)C(=O)c1ccc(O)c(NC(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C35H24N2O5/c38-31-17-15-23(19-29(31)36-34(41)27-13-5-9-21-7-1-3-11-25(21)27)33(40)24-16-18-32(39)30(20-24)37-35(42)28-14-6-10-22-8-2-4-12-26(22)28/h1-20,38-39H,(H,36,41)(H,37,42)
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2.97E+4n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Non competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki slope using SAM preinc...


J Med Chem 55: 7978-87 (2012)


Article DOI: 10.1021/jm300521m
BindingDB Entry DOI: 10.7270/Q2PN96R4
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
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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3.50E+4n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Binding affinity to His6x-tagged PRMT1 expressed in Escherichia coli BL21 (DE3) using fluorescein-labeled H4(1-11) peptide by spectrofluorometer anal...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50397031
PNG
(CHEMBL2171190)
Show SMILES [#8]-c1cc2ccccc2cc1-[#6](=O)-[#7]\[#7]=[#6]-1\[#6]=[#6]/[#6](/[#6]=[#6]-1)=[#7]\[#8]S(=O)(=O)c1ccccc1 |c:18,21|
Show InChI InChI=1S/C23H17N3O5S/c27-22-15-17-7-5-4-6-16(17)14-21(22)23(28)25-24-18-10-12-19(13-11-18)26-31-32(29,30)20-8-2-1-3-9-20/h1-15,27H,(H,25,28)/b24-18-,26-19+
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>2.57E+5n/an/an/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Non competitive inhibition of histidine tagged recombinant PRMT1 expressed in Escherichia coli BL21 (DE3) cells assessed as Ki slope using SAM preinc...


J Med Chem 55: 7978-87 (2012)


Article DOI: 10.1021/jm300521m
BindingDB Entry DOI: 10.7270/Q2PN96R4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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n/an/a 3.20n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237554
PNG
(CHEMBL4098587)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
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n/an/a 17n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237602
PNG
(CHEMBL4061283)
Show SMILES CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
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n/an/a 56n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 110n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237556
PNG
(CHEMBL4087241)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |r|
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n/an/a 140n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237550
PNG
(CHEMBL4091010)
Show SMILES CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 |r|
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n/an/a 145n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM14210
PNG
(4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-mo...)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C29H31N5O4/c1-36-26-18-24-25(19-27(26)38-15-5-12-34-13-16-37-17-14-34)30-20-31-28(24)32-22-8-10-23(11-9-22)33-29(35)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,35)(H,30,31,32)
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n/an/a 156n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50009672
PNG
(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070953
PNG
(CHEMBL3409550)
Show SMILES [Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:7|
Show InChI InChI=1S/C49H49N2/c1-48(2)44(50(34-16-22-36-18-7-5-8-19-36)42-32-30-38-24-11-13-26-40(38)46(42)48)28-15-29-45-49(3,4)47-41-27-14-12-25-39(41)31-33-43(47)51(45)35-17-23-37-20-9-6-10-21-37/h5-15,18-21,24-33H,16-17,22-23,34-35H2,1-4H3/q+1
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n/an/a 610n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255529
PNG
(Ac-Lys(CoA)-NH2 | CHEMBL505121)
Show SMILES CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(N)=O |r|
Show InChI InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19+,23+,24+,25-,30+/m0/s1
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n/an/a 980n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50237567
PNG
(CHEMBL4092491)
Show SMILES CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1 |r|
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n/an/a 1.02E+3n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50071013
PNG
(CHEMBL3409546)
Show SMILES [Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc(Cl)cc3C2(C)C)N(CCCc2ccccc2)c2ccc(Cl)cc12 |c:7|
Show InChI InChI=1S/C41H43Cl2N2/c1-40(2)34-28-32(42)22-24-36(34)44(26-12-18-30-14-7-5-8-15-30)38(40)20-11-21-39-41(3,4)35-29-33(43)23-25-37(35)45(39)27-13-19-31-16-9-6-10-17-31/h5-11,14-17,20-25,28-29H,12-13,18-19,26-27H2,1-4H3/q+1
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n/an/a 1.15E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50071012
PNG
(CHEMBL3409549)
Show SMILES [Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc(Br)cc3C2(C)C)N(CCCc2ccccc2)c2ccc(Br)cc12 |c:7|
Show InChI InChI=1S/C41H43Br2N2/c1-40(2)34-28-32(42)22-24-36(34)44(26-12-18-30-14-7-5-8-15-30)38(40)20-11-21-39-41(3,4)35-29-33(43)23-25-37(35)45(39)27-13-19-31-16-9-6-10-17-31/h5-11,14-17,20-25,28-29H,12-13,18-19,26-27H2,1-4H3/q+1
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n/an/a 1.25E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50070953
PNG
(CHEMBL3409550)
Show SMILES [Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:7|
Show InChI InChI=1S/C49H49N2/c1-48(2)44(50(34-16-22-36-18-7-5-8-19-36)42-32-30-38-24-11-13-26-40(38)46(42)48)28-15-29-45-49(3,4)47-41-27-14-12-25-39(41)31-33-43(47)51(45)35-17-23-37-20-9-6-10-21-37/h5-15,18-21,24-33H,16-17,22-23,34-35H2,1-4H3/q+1
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antibodypedia
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n/an/a 1.40E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT5 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 8 (PRMT8)


(Homo sapiens (Human))
BDBM50070953
PNG
(CHEMBL3409550)
Show SMILES [Br-].CC1(C)\C(=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:7|
Show InChI InChI=1S/C49H49N2/c1-48(2)44(50(34-16-22-36-18-7-5-8-19-36)42-32-30-38-24-11-13-26-40(38)46(42)48)28-15-29-45-49(3,4)47-41-27-14-12-25-39(41)31-33-43(47)51(45)35-17-23-37-20-9-6-10-21-37/h5-15,18-21,24-33H,16-17,22-23,34-35H2,1-4H3/q+1
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n/an/a 1.74E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT8 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070954
PNG
(CHEMBL3099810)
Show SMILES [Br-].CC1(C)\C(=C/C=C(\Cl)/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:10|
Show InChI InChI=1S/C51H50ClN2/c1-50(2)46(53(35-15-21-37-17-7-5-8-18-37)44-31-27-39-23-11-13-25-42(39)48(44)50)33-29-41(52)30-34-47-51(3,4)49-43-26-14-12-24-40(43)28-32-45(49)54(47)36-16-22-38-19-9-6-10-20-38/h5-14,17-20,23-34H,15-16,21-22,35-36H2,1-4H3/q+1
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n/an/a 1.81E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070952
PNG
(CHEMBL3409555)
Show SMILES [I-].CCCCN1\C(Sc2ccc(Br)cc12)=C\C=C\c1sc2ccc(Br)cc2[n+]1CCCC
Show InChI InChI=1S/C25H27Br2N2S2/c1-3-5-14-28-20-16-18(26)10-12-22(20)30-24(28)8-7-9-25-29(15-6-4-2)21-17-19(27)11-13-23(21)31-25/h7-13,16-17H,3-6,14-15H2,1-2H3/q+1
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n/an/a 2.03E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone acetyltransferase PCAF


(Homo sapiens (Human))
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C116H205N42O45P3S/c1-57(2)48-74(112(190)191)152-101(180)72(32-34-78(120)164)148-96(175)66(24-12-16-37-117)146-99(178)70(29-21-42-133-114(125)126)150-105(184)76-31-23-46-157(76)110(189)60(5)142-95(174)65(27-15-19-40-129-83(169)53-207-47-45-130-80(166)36-44-131-109(188)90(171)116(10,11)54-200-206(197,198)203-205(195,196)199-52-77-89(202-204(192,193)194)88(170)111(201-77)158-56-139-87-91(122)137-55-138-92(87)158)143-82(168)50-135-81(167)49-136-106(185)84(61(6)160)154-104(183)75(51-159)153-100(179)67(25-13-17-38-118)147-98(177)69(28-20-41-132-113(123)124)144-94(173)59(4)141-107(186)85(62(7)161)155-103(182)73(33-35-79(121)165)149-97(176)68(26-14-18-39-119)151-108(187)86(63(8)162)156-102(181)71(30-22-43-134-115(127)128)145-93(172)58(3)140-64(9)163/h55-63,65-77,84-86,88-90,111,159-162,170-171H,12-54,117-119H2,1-11H3,(H2,120,164)(H2,121,165)(H,129,169)(H,130,166)(H,131,188)(H,135,167)(H,136,185)(H,140,163)(H,141,186)(H,142,174)(H,143,168)(H,144,173)(H,145,172)(H,146,178)(H,147,177)(H,148,175)(H,149,176)(H,150,184)(H,151,187)(H,152,180)(H,153,179)(H,154,183)(H,155,182)(H,156,181)(H,190,191)(H,195,196)(H,197,198)(H2,122,137,138)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,84-,85-,86-,88+,89+,90-,111+/m0/s1
PDB
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n/an/a 2.27E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of PCAF HAT domain (493-658) expressed in Escherichia coli BL21 (DE3)


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070957
PNG
(CHEMBL3409561)
Show SMILES [I-].CCN1\C(Sc2c1ccc1ccccc21)=C\C(\C)=C\c1sc2c(ccc3ccccc23)[n+]1CC
Show InChI InChI=1S/C30H27N2S2/c1-4-31-25-16-14-21-10-6-8-12-23(21)29(25)33-27(31)18-20(3)19-28-32(5-2)26-17-15-22-11-7-9-13-24(22)30(26)34-28/h6-19H,4-5H2,1-3H3/q+1
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n/an/a 2.37E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50387486
PNG
(CHEMBL2047486)
Show SMILES CCCCN1\C(=C/C=C\C2=[N+](CCCC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |c:9|
Show InChI InChI=1S/C39H45N2/c1-7-9-26-40-32-24-22-28-16-11-13-18-30(28)36(32)38(3,4)34(40)20-15-21-35-39(5,6)37-31-19-14-12-17-29(31)23-25-33(37)41(35)27-10-8-2/h11-25H,7-10,26-27H2,1-6H3/q+1
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n/an/a 2.56E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50071010
PNG
(CHEMBL3409554)
Show SMILES [I-].CCCCN1\C(Sc2cc(Br)ccc12)=C\C=C\c1sc2cc(Br)ccc2[n+]1CCCC
Show InChI InChI=1S/C25H27Br2N2S2/c1-3-5-14-28-20-12-10-18(26)16-22(20)30-24(28)8-7-9-25-29(15-6-4-2)21-13-11-19(27)17-23(21)31-25/h7-13,16-17H,3-6,14-15H2,1-2H3/q+1
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n/an/a 2.67E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255524
PNG
(Ac-SGRGK(CoA)GGKGLGKGGAKRHRK | CHEMBL505605)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,65.64,67.76,29.88,108.113,153.155,93.103,174.177,wD:68.68,70.71,49.49,144.146,12.17,164.166,4.4,185.188,122.124,(32.95,-10.85,;32.95,-9.29,;34.26,-8.53,;31.63,-8.53,;31.63,-6.98,;30.31,-6.18,;28.99,-6.97,;28.99,-8.52,;27.64,-6.19,;26.3,-6.95,;24.94,-6.21,;24.94,-4.69,;23.63,-6.97,;23.63,-8.52,;24.94,-9.28,;24.94,-10.84,;26.26,-11.59,;26.25,-13.1,;22.32,-6.16,;21.02,-6.99,;21.02,-8.55,;19.66,-6.21,;18.3,-6.93,;16.95,-6.2,;16.95,-4.67,;15.63,-6.95,;14.32,-6.15,;13.03,-6.99,;13.03,-8.54,;11.68,-6.2,;11.68,-4.69,;13.03,-3.91,;13.03,-2.39,;14.37,-1.62,;14.37,-.08,;15.75,.61,;17.08,-.16,;15.75,2.15,;17.08,2.92,;18.42,3.69,;18.42,5.23,;19.76,6.01,;21.09,5.23,;21.09,3.69,;22.42,6.01,;23.77,5.23,;25.1,6.01,;25.1,7.55,;23.77,8.33,;26.43,8.33,;26.43,9.86,;27.77,7.55,;29.11,6.77,;28.54,8.89,;27,6.21,;27.77,4.88,;27,3.53,;26.23,2.2,;25.66,4.31,;28.33,2.77,;28.33,1.22,;28.33,-.32,;26.79,1.22,;29.88,1.22,;30.64,2.56,;32.19,2.56,;33.1,3.81,;34.56,3.33,;34.56,1.79,;35.81,.88,;33.1,1.32,;32.62,-.15,;33.65,-1.29,;34.68,-2.44,;32.5,-2.33,;34.8,-.26,;35.81,4.24,;35.81,5.78,;37.28,6.26,;38.18,5.01,;39.71,4.85,;40.62,6.1,;40.34,3.44,;39.44,2.19,;37.9,2.36,;37.28,3.76,;10.29,-6.87,;8.9,-6.2,;8.9,-4.68,;7.58,-6.96,;6.26,-6.17,;4.94,-6.96,;4.94,-8.51,;3.59,-6.18,;3.59,-4.66,;4.94,-3.88,;4.94,-2.37,;6.27,-1.6,;6.25,-.06,;4.94,.8,;7.61,.79,;2.23,-6.9,;.86,-6.19,;.86,-4.67,;-.47,-6.95,;-1.76,-6.12,;-3.06,-6.95,;-3.06,-8.48,;-4.39,-6.18,;-4.39,-4.63,;-3.02,-3.68,;-5.77,-6.86,;-7.14,-6.17,;-8.48,-6.94,;-7.14,-4.63,;32.95,-6.22,;32.95,-4.7,;34.29,-6.96,;35.63,-6.2,;36.98,-6.97,;36.98,-8.53,;38.31,-6.2,;39.64,-6.98,;39.64,-8.53,;40.96,-9.29,;40.96,-10.85,;42.28,-11.6,;42.22,-13.16,;40.96,-6.22,;40.96,-4.7,;42.28,-7.02,;43.62,-6.26,;44.97,-7.04,;44.97,-8.6,;46.31,-6.28,;47.68,-6.98,;49,-6.22,;49,-4.71,;50.29,-7.06,;51.61,-6.28,;51.61,-4.76,;52.96,-7.05,;52.96,-8.61,;54.3,-6.29,;55.68,-6.98,;55.68,-8.54,;56.99,-9.3,;56.99,-10.85,;58.31,-11.61,;58.23,-13.21,;56.99,-6.22,;56.99,-4.7,;58.31,-7.03,;59.63,-6.25,;59.63,-4.74,;60.98,-3.96,;60.98,-2.44,;62.33,-1.68,;62.38,-.14,;61.02,.57,;63.66,.6,;60.98,-7.03,;60.98,-8.58,;62.32,-6.27,;63.68,-6.98,;63.68,-8.54,;65,-9.3,;66.39,-8.7,;67.42,-9.86,;66.64,-11.18,;65.14,-10.84,;65,-6.23,;65,-4.72,;66.33,-7.01,;67.66,-6.23,;67.66,-4.71,;69.01,-3.93,;69.01,-2.41,;70.36,-1.67,;70.36,-.13,;69.05,.59,;71.7,.62,;69.01,-7,;69.01,-8.55,;70.35,-6.24,;71.69,-7,;71.69,-8.56,;73,-9.32,;73,-10.88,;74.32,-11.64,;74.33,-13.2,;73,-6.25,;74.35,-7.03,;73,-4.73,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)141-62(20-7-12-29-108)91(166)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-129-92(167)64(142-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,159)(H,142,158)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
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n/an/a 2.88E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
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n/an/a 3.05E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070950
PNG
(CHEMBL3409562)
Show SMILES [I-].CCCCN1\C(=C\C=C(/Br)\C=C\C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc12 |c:12|
Show InChI InChI=1S/C33H40Br3N2/c1-7-9-19-37-28-15-11-24(35)21-26(28)32(3,4)30(37)17-13-23(34)14-18-31-33(5,6)27-22-25(36)12-16-29(27)38(31)20-10-8-2/h11-18,21-22H,7-10,19-20H2,1-6H3/q+1
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n/an/a 3.38E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070956
PNG
(CHEMBL3409563)
Show SMILES [I-].CCN1\C(=C\C=C\C=C\C2=[N+](CC)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |c:9|
Show InChI InChI=1S/C37H39N2/c1-7-38-30-24-22-26-16-12-14-18-28(26)34(30)36(3,4)32(38)20-10-9-11-21-33-37(5,6)35-29-19-15-13-17-27(29)23-25-31(35)39(33)8-2/h9-25H,7-8H2,1-6H3/q+1
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n/an/a 3.39E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070958
PNG
(CHEMBL3409557)
Show SMILES [I-].CCCCN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCC
Show InChI InChI=1S/C33H33N2S2/c1-3-5-22-34-28-20-18-24-12-7-9-14-26(24)32(28)36-30(34)16-11-17-31-35(23-6-4-2)29-21-19-25-13-8-10-15-27(25)33(29)37-31/h7-21H,3-6,22-23H2,1-2H3/q+1
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n/an/a 4.00E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50387477
PNG
(CHEMBL2047477)
Show SMILES CCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CC)c2cccc3cccc1c23
Show InChI InChI=1S/C29H25N2/c1-3-30-24(22-14-5-10-20-12-7-18-26(30)28(20)22)16-9-17-25-23-15-6-11-21-13-8-19-27(29(21)23)31(25)4-2/h5-19H,3-4H2,1-2H3/q+1/b24-16-,25-17-
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Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...


Eur J Med Chem 54: 647-59 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.017
BindingDB Entry DOI: 10.7270/Q2XD12R6
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255526
PNG
(Ac-SGRGKGGKGLGK(CoA)GGAKRHRK | CHEMBL500256)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,112.113,42.49,91.91,29.34,153.155,57.59,174.177,110.110,wD:107.106,109.118,4.4,71.70,144.146,164.166,12.17,185.188,(30.47,-5.9,;30.47,-4.35,;31.8,-3.59,;29.15,-3.58,;29.16,-2.02,;27.82,-1.25,;26.53,-2.1,;26.52,-3.65,;25.18,-1.31,;23.8,-1.99,;22.46,-1.23,;22.47,.3,;21.11,-2,;21.11,-3.55,;22.43,-4.32,;22.43,-5.88,;23.75,-6.65,;23.65,-8.11,;19.79,-1.22,;18.45,-1.99,;18.44,-3.52,;17.1,-1.2,;15.76,-1.96,;14.42,-1.19,;14.42,.36,;13.09,-1.96,;11.77,-1.17,;10.44,-1.96,;10.43,-3.49,;9.1,-1.18,;9.1,.38,;10.45,1.15,;10.45,2.68,;11.8,3.45,;11.79,5.03,;7.73,-1.89,;6.39,-1.14,;6.4,.41,;5.06,-1.9,;3.74,-1.11,;2.44,-1.94,;2.44,-3.47,;1.1,-1.15,;1.11,.39,;2.46,1.17,;2.46,2.7,;3.73,3.58,;3.83,5.12,;2.43,5.97,;5.12,5.95,;-.26,-1.86,;-1.61,-1.11,;-1.6,.45,;-2.93,-1.87,;-4.24,-1.05,;-5.49,-1.95,;-5.48,-3.48,;-6.84,-1.16,;-6.82,.38,;-5.47,1.18,;-8.19,-1.9,;-9.54,-1.16,;-10.86,-1.92,;-9.54,.39,;30.48,-1.26,;30.49,.27,;31.81,-2.03,;33.18,-1.33,;34.52,-2.12,;34.52,-3.66,;35.82,-1.29,;37.15,-2.07,;37.16,-3.62,;38.47,-4.39,;38.47,-5.94,;39.79,-6.71,;39.72,-8.25,;38.41,-9.07,;38.41,-10.6,;37.08,-8.3,;35.75,-9.07,;35.75,-10.61,;34.41,-11.38,;34.36,-12.92,;35.7,-13.68,;37.03,-12.92,;35.69,-15.24,;37.02,-16.01,;36.92,-17.54,;35.62,-18.37,;34.27,-17.58,;35.61,-19.89,;34.22,-20.64,;36.93,-20.66,;38.27,-21.44,;36.15,-22,;37.7,-19.34,;39.25,-19.35,;40.02,-18.02,;40.78,-16.68,;38.7,-17.25,;41.37,-18.8,;42.7,-18.04,;43.96,-17.24,;41.94,-16.71,;43.47,-19.39,;42.69,-20.73,;43.46,-22.05,;42.81,-23.47,;43.95,-24.5,;45.29,-23.74,;46.69,-24.39,;44.98,-22.24,;46.03,-21.1,;47.53,-21.43,;48.95,-21.74,;47.79,-19.9,;47.19,-22.94,;43.78,-26.04,;42.44,-26.79,;42.75,-28.31,;44.28,-28.48,;45.17,-29.73,;44.49,-31.11,;46.71,-29.58,;47.35,-28.18,;46.45,-26.92,;44.92,-27.07,;38.48,-1.3,;38.48,.23,;39.8,-2.1,;41.16,-1.37,;42.5,-2.15,;42.5,-3.7,;43.81,-1.34,;45.15,-2.1,;46.48,-1.34,;46.48,.19,;47.8,-2.13,;49.15,-1.38,;49.16,.15,;50.49,-2.17,;50.49,-3.72,;51.82,-1.38,;53.16,-2.14,;53.15,-3.69,;54.48,-4.47,;54.47,-6.02,;55.8,-6.78,;55.74,-8.34,;54.49,-1.38,;54.49,.16,;55.82,-2.15,;57.16,-1.41,;57.17,.12,;58.52,.89,;58.53,2.42,;59.85,3.21,;59.89,4.75,;58.53,5.53,;61.2,5.54,;58.5,-2.19,;58.5,-3.75,;59.83,-1.4,;61.16,-2.18,;61.15,-3.73,;62.46,-4.5,;63.84,-3.91,;64.88,-5.05,;64.11,-6.39,;62.61,-6.04,;62.47,-1.43,;62.48,.11,;63.81,-2.18,;65.15,-1.42,;65.16,.1,;66.5,.87,;66.51,2.4,;67.84,3.17,;67.87,4.71,;66.53,5.48,;69.21,5.49,;66.5,-2.21,;66.49,-3.76,;67.83,-1.44,;69.16,-2.22,;69.16,-3.77,;70.49,-4.54,;70.49,-6.1,;71.8,-6.87,;71.8,-8.42,;70.49,-1.46,;71.84,-2.24,;70.51,.07,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)63(21-8-13-30-109)140-78(157)46-127-76(155)44-128-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-64(23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150)92(167)129-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,166)(H,129,167)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
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n/an/a 4.35E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50000029
PNG
(4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/p-6
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n/an/a 5.33E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT1-mediated protein arginine methylation expressed in Escherichia coli BL21 (DE3) using H4(1-20) and [14C]-SAM by scint...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50070955
PNG
(CHEMBL3409565)
Show SMILES [I-].CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCc3ccccc3)c3ccc4ccccc4c3C2(C)C)N(CCCc2ccccc2)c2ccc3ccccc3c12 |c:9|
Show InChI InChI=1S/C51H51N2/c1-50(2)46(52(36-18-24-38-20-8-5-9-21-38)44-34-32-40-26-14-16-28-42(40)48(44)50)30-12-7-13-31-47-51(3,4)49-43-29-17-15-27-41(43)33-35-45(49)53(47)37-19-25-39-22-10-6-11-23-39/h5-17,20-23,26-35H,18-19,24-25,36-37H2,1-4H3/q+1
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n/an/a 5.76E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
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n/an/a 5.80E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged CARM1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50237553
PNG
(CHEMBL4071058)
Show SMILES CC(C)(C)OC(=O)NCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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n/an/a 6.20E+3n/an/an/an/an/an/a



Xuzhou Medical University

Curated by ChEMBL




Eur J Med Chem 130: 393-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.061
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50387482
PNG
(CHEMBL2047480)
Show SMILES CC1(C)\C(=C\C=C/C2=[N+](CCCc3ccccc3)c3ccccc3C2(C)C)N(CCCc2ccccc2)c2ccccc12 |c:7|
Show InChI InChI=1S/C41H45N2/c1-40(2)34-24-11-13-26-36(34)42(30-16-22-32-18-7-5-8-19-32)38(40)28-15-29-39-41(3,4)35-25-12-14-27-37(35)43(39)31-17-23-33-20-9-6-10-21-33/h5-15,18-21,24-29H,16-17,22-23,30-31H2,1-4H3/q+1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His-tagged PRMT1 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 mins ...


Eur J Med Chem 54: 647-59 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.017
BindingDB Entry DOI: 10.7270/Q2XD12R6
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50071011
PNG
(CHEMBL3409553)
Show SMILES [I-].CCN1\C(Sc2cc(Br)ccc12)=C\C=C\c1sc2cc(Br)ccc2[n+]1CC
Show InChI InChI=1S/C21H19Br2N2S2/c1-3-24-16-10-8-14(22)12-18(16)26-20(24)6-5-7-21-25(4-2)17-11-9-15(23)13-19(17)27-21/h5-13H,3-4H2,1-2H3/q+1
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n/an/a 6.43E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255527
PNG
(Ac-SGRGKGGKGLGKGGAK(CoA)RHRK | CHEMBL504265)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:134.135,88.88,132.132,42.49,29.34,153.155,113.113,57.59,174.177,wD:129.128,131.140,4.4,71.70,93.92,164.166,185.188,12.17,(30.67,-41.69,;30.67,-40.13,;32,-39.37,;29.35,-39.36,;29.36,-37.8,;28.03,-37.02,;26.75,-37.88,;26.74,-39.43,;25.41,-37.1,;24.02,-37.78,;22.68,-37.02,;22.69,-35.49,;21.33,-37.79,;21.32,-39.35,;22.65,-40.11,;22.64,-41.67,;23.97,-42.44,;23.87,-43.9,;20,-37.02,;18.66,-37.79,;18.66,-39.32,;17.32,-37,;15.97,-37.76,;14.64,-36.99,;14.63,-35.44,;13.31,-37.76,;11.98,-36.98,;10.65,-37.76,;10.64,-39.29,;9.31,-36.98,;9.31,-35.43,;10.66,-34.65,;10.66,-33.13,;12.01,-32.35,;12.01,-30.76,;7.94,-37.69,;6.59,-36.95,;6.59,-35.4,;5.26,-37.71,;3.95,-36.9,;2.66,-37.74,;2.66,-39.27,;1.32,-36.95,;1.32,-35.4,;2.67,-34.63,;2.67,-33.09,;3.94,-32.22,;4.02,-30.68,;2.63,-29.8,;5.31,-29.81,;-.07,-37.62,;-1.43,-36.91,;-1.43,-35.35,;-2.75,-37.67,;-4.05,-36.84,;-5.31,-37.74,;-5.31,-39.27,;-6.66,-36.95,;-6.64,-35.4,;-5.3,-34.63,;-8,-37.7,;-9.34,-36.95,;-10.66,-37.71,;-9.34,-35.39,;30.68,-37.05,;30.69,-35.52,;32.02,-37.81,;33.39,-37.13,;34.73,-37.91,;34.73,-39.46,;36.02,-37.07,;37.34,-37.87,;37.35,-39.42,;38.66,-40.19,;38.66,-41.74,;39.98,-42.51,;39.91,-44,;38.67,-37.1,;38.68,-35.57,;40.01,-37.86,;41.39,-37.16,;42.72,-37.94,;42.72,-39.5,;44.02,-37.11,;45.34,-37.9,;46.66,-37.14,;46.67,-35.61,;48.01,-37.89,;49.38,-37.18,;49.38,-35.65,;50.72,-37.96,;50.71,-39.51,;52.02,-37.14,;53.34,-37.93,;53.34,-39.48,;54.66,-40.25,;54.66,-41.8,;55.98,-42.57,;55.92,-44.11,;54.6,-44.91,;54.59,-46.45,;53.26,-44.13,;51.92,-44.9,;51.91,-46.43,;50.57,-47.2,;50.52,-48.74,;51.86,-49.52,;53.19,-48.75,;51.85,-51.07,;53.18,-51.84,;53.15,-53.38,;51.81,-54.15,;50.47,-53.37,;51.8,-55.68,;50.42,-56.44,;53.13,-56.45,;54.47,-57.22,;52.35,-57.79,;53.9,-55.13,;55.45,-55.13,;56.22,-53.81,;56.91,-52.5,;54.89,-53.04,;57.56,-54.59,;58.89,-53.83,;60.17,-53.04,;58.13,-52.49,;59.67,-55.17,;58.89,-56.51,;59.65,-57.84,;59,-59.26,;60.14,-60.28,;61.48,-59.53,;62.78,-60.2,;61.17,-58.02,;62.22,-56.89,;63.72,-57.22,;65.15,-57.57,;64,-55.71,;63.38,-58.73,;59.97,-61.82,;58.64,-62.58,;58.95,-64.09,;60.47,-64.26,;61.37,-65.51,;60.73,-66.91,;62.91,-65.37,;63.54,-63.97,;62.64,-62.71,;61.11,-62.86,;54.67,-37.17,;54.68,-35.63,;56.01,-37.93,;57.37,-37.2,;57.37,-35.67,;58.72,-34.9,;58.73,-33.37,;60.05,-32.57,;60.08,-31.03,;58.72,-30.23,;61.38,-30.24,;58.7,-37.98,;58.7,-39.54,;60.02,-37.18,;61.34,-37.97,;61.33,-39.52,;62.65,-40.29,;64.03,-39.7,;65.07,-40.84,;64.3,-42.17,;62.8,-41.83,;62.66,-37.21,;62.66,-35.68,;64,-37.97,;65.34,-37.21,;65.34,-35.69,;66.69,-34.92,;66.7,-33.39,;68.04,-32.63,;68.07,-31.09,;66.7,-30.33,;69.4,-30.32,;66.68,-38,;66.68,-39.55,;68.01,-37.23,;69.34,-38,;69.34,-39.56,;70.67,-40.32,;70.67,-41.88,;71.98,-42.65,;71.98,-44.2,;70.67,-37.24,;72.02,-38.02,;70.69,-35.71,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(144-82(161)50-131-93(168)64(22-9-14-31-110)140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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UniChem
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n/an/a 6.62E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50070951
PNG
(CHEMBL3409558)
Show SMILES [I-].C(CN1\C(Sc2c1ccc1ccccc21)=C\C=C\c1sc2c(ccc3ccccc23)[n+]1CCCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C43H37N2S2/c1-3-14-32(15-4-1)18-12-30-44-38-28-26-34-20-7-9-22-36(34)42(38)46-40(44)24-11-25-41-45(31-13-19-33-16-5-2-6-17-33)39-29-27-35-21-8-10-23-37(35)43(39)47-41/h1-11,14-17,20-29H,12-13,18-19,30-31H2/q+1
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n/an/a 7.04E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT5 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50328743
PNG
(3-((4-acetamidophenyl)diazenyl)-4-hydroxy-7-(3-(5-...)
Show SMILES CC(=O)Nc1ccc(cc1)N=Nc1c(O)c2ccc(NC(=O)Nc3ccc4c(O)c(N=Nc5ccccc5)c(cc4c3)S(O)(=O)=O)cc2cc1S(O)(=O)=O |w:31.32,11.12|
Show InChI InChI=1S/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged PRMT3-mediated arginine methylation expressed in Escherichia coli BL21 (DE3) using GAR R4 peptide and [14C]-SAM by scintil...


J Med Chem 53: 6028-39 (2010)


Article DOI: 10.1021/jm100416n
BindingDB Entry DOI: 10.7270/Q2251JDB
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50007728
PNG
(CHEMBL424121 | DB867)
Show SMILES NC(=N)c1ccc(cc1)-c1ccc(o1)-c1ccc(nc1)C(N)=N
Show InChI InChI=1S/C17H15N5O/c18-16(19)11-3-1-10(2-4-11)14-7-8-15(23-14)12-5-6-13(17(20)21)22-9-12/h1-9H,(H3,18,19)(H3,20,21)
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n/an/a 7.20E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Inhibition of His6x-tagged recombinant PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]SAM and histone H4 (1 to 20) as subst...


J Med Chem 57: 2611-22 (2014)


Article DOI: 10.1021/jm401884z
BindingDB Entry DOI: 10.7270/Q2ZW1NFB
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50070952
PNG
(CHEMBL3409555)
Show SMILES [I-].CCCCN1\C(Sc2ccc(Br)cc12)=C\C=C\c1sc2ccc(Br)cc2[n+]1CCCC
Show InChI InChI=1S/C25H27Br2N2S2/c1-3-5-14-28-20-16-18(26)10-12-22(20)30-24(28)8-7-9-25-29(15-6-4-2)21-17-19(27)11-13-23(21)31-25/h7-13,16-17H,3-6,14-15H2,1-2H3/q+1
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n/an/a 7.23E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged CARM1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255522
PNG
(Ac-ARTKQTARKSTGGK(CoA)APRKQL | CHEMBL526343)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C116H205N42O45P3S/c1-57(2)48-74(112(190)191)152-101(180)72(32-34-78(120)164)148-96(175)66(24-12-16-37-117)146-99(178)70(29-21-42-133-114(125)126)150-105(184)76-31-23-46-157(76)110(189)60(5)142-95(174)65(27-15-19-40-129-83(169)53-207-47-45-130-80(166)36-44-131-109(188)90(171)116(10,11)54-200-206(197,198)203-205(195,196)199-52-77-89(202-204(192,193)194)88(170)111(201-77)158-56-139-87-91(122)137-55-138-92(87)158)143-82(168)50-135-81(167)49-136-106(185)84(61(6)160)154-104(183)75(51-159)153-100(179)67(25-13-17-38-118)147-98(177)69(28-20-41-132-113(123)124)144-94(173)59(4)141-107(186)85(62(7)161)155-103(182)73(33-35-79(121)165)149-97(176)68(26-14-18-39-119)151-108(187)86(63(8)162)156-102(181)71(30-22-43-134-115(127)128)145-93(172)58(3)140-64(9)163/h55-63,65-77,84-86,88-90,111,159-162,170-171H,12-54,117-119H2,1-11H3,(H2,120,164)(H2,121,165)(H,129,169)(H,130,166)(H,131,188)(H,135,167)(H,136,185)(H,140,163)(H,141,186)(H,142,174)(H,143,168)(H,144,173)(H,145,172)(H,146,178)(H,147,177)(H,148,175)(H,149,176)(H,150,184)(H,151,187)(H,152,180)(H,153,179)(H,154,183)(H,155,182)(H,156,181)(H,190,191)(H,195,196)(H,197,198)(H2,122,137,138)(H4,123,124,132)(H4,125,126,133)(H4,127,128,134)(H2,192,193,194)/t58-,59-,60-,61+,62+,63+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77+,84-,85-,86-,88+,89+,90-,111+/m0/s1
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n/an/a 7.54E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50255525
PNG
(Ac-SGRGKGGK(CoA)GLGKGGAKRHRK | CHEMBL448227)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(O)=O |r,wU:139.142,53.54,51.51,93.103,80.88,153.155,32.32,108.113,174.177,wD:48.47,50.59,4.4,122.124,144.146,164.166,185.188,12.71,(30.94,-27.66,;30.94,-26.11,;32.27,-25.35,;29.62,-25.34,;29.62,-23.78,;28.29,-23.01,;27,-23.86,;26.99,-25.41,;25.66,-23.07,;24.28,-23.77,;22.95,-22.99,;22.96,-21.46,;21.6,-23.77,;21.59,-25.32,;22.92,-26.09,;22.91,-27.64,;24.24,-28.41,;24.13,-29.95,;22.85,-30.79,;22.84,-32.34,;21.51,-30.01,;20.16,-30.78,;20.16,-32.32,;18.81,-33.09,;18.72,-34.63,;20.05,-35.4,;21.38,-34.64,;20.04,-36.96,;21.37,-37.73,;21.34,-39.27,;20,-40.04,;18.66,-39.26,;19.99,-41.57,;18.61,-42.33,;21.32,-42.33,;22.66,-43.11,;20.54,-43.68,;22.09,-41.02,;23.64,-41.02,;24.41,-39.69,;25.09,-38.34,;23.08,-38.93,;25.75,-40.48,;27.08,-39.72,;28.36,-38.93,;26.32,-38.38,;27.86,-41.06,;27.08,-42.4,;27.84,-43.73,;27.19,-45.15,;28.33,-46.17,;29.67,-45.42,;30.96,-46.03,;29.36,-43.91,;30.41,-42.78,;31.91,-43.11,;33.34,-43.43,;32.19,-41.6,;31.57,-44.61,;28.16,-47.71,;26.83,-48.47,;27.14,-49.98,;28.66,-50.15,;29.56,-51.4,;28.92,-52.8,;31.09,-51.26,;31.73,-49.85,;30.83,-48.59,;29.3,-48.75,;20.27,-22.99,;18.93,-23.76,;18.92,-25.29,;17.59,-22.98,;16.24,-23.73,;14.9,-22.97,;14.9,-21.41,;13.57,-23.73,;12.24,-22.95,;10.92,-23.73,;10.91,-25.27,;9.58,-22.96,;9.58,-21.4,;10.93,-20.63,;10.93,-19.1,;12.28,-18.33,;12.27,-16.74,;8.21,-23.66,;6.85,-22.92,;6.86,-21.37,;5.53,-23.68,;4.22,-22.87,;2.93,-23.71,;2.93,-25.24,;1.59,-22.92,;1.59,-21.38,;2.94,-20.6,;2.94,-19.07,;4.22,-18.2,;4.3,-16.67,;2.9,-15.81,;5.58,-15.81,;.21,-23.61,;-1.14,-22.88,;-1.14,-21.32,;-2.47,-23.64,;-3.77,-22.83,;-5.04,-23.71,;-5.03,-25.24,;-6.39,-22.92,;-6.37,-21.38,;-5.03,-20.6,;-7.73,-23.68,;-9.07,-22.92,;-10.39,-23.68,;-9.06,-21.37,;30.95,-23.02,;30.95,-21.49,;32.27,-23.8,;33.65,-23.1,;34.99,-23.89,;34.98,-25.44,;36.28,-23.06,;37.61,-23.84,;37.61,-25.39,;38.93,-26.16,;38.93,-27.71,;40.25,-28.48,;40.18,-29.99,;38.94,-23.08,;38.94,-21.55,;40.27,-23.85,;41.64,-23.14,;42.98,-23.92,;42.98,-25.47,;44.28,-23.1,;45.61,-23.87,;46.93,-23.11,;46.94,-21.58,;48.27,-23.88,;49.63,-23.16,;49.64,-21.62,;50.97,-23.94,;50.97,-25.49,;52.28,-23.13,;53.62,-23.9,;53.61,-25.46,;54.93,-26.23,;54.93,-27.78,;56.26,-28.55,;56.19,-30.08,;54.94,-23.14,;54.95,-21.61,;56.28,-23.91,;57.64,-23.18,;57.65,-21.65,;58.99,-20.88,;59,-19.34,;60.32,-18.55,;60.36,-17.01,;58.99,-16.21,;61.66,-16.21,;58.98,-23.96,;58.98,-25.51,;60.29,-23.16,;61.61,-23.94,;61.61,-25.49,;62.92,-26.27,;64.3,-25.68,;65.34,-26.82,;64.57,-28.15,;63.07,-27.8,;62.93,-23.19,;62.94,-21.66,;64.27,-23.95,;65.61,-23.19,;65.62,-21.67,;66.96,-20.9,;66.97,-19.36,;68.31,-18.61,;68.34,-17.07,;66.98,-16.31,;69.67,-16.29,;66.95,-23.97,;66.95,-25.52,;68.29,-23.2,;69.62,-23.98,;69.62,-25.53,;70.94,-26.3,;70.94,-27.86,;72.26,-28.63,;72.25,-30.18,;70.95,-23.22,;72.29,-24,;70.96,-21.69,)|
Show InChI InChI=1S/C107H188N43O40P3S/c1-58(2)40-70(95(170)132-48-80(159)142-63(21-8-13-30-109)92(167)128-43-75(154)126-45-77(156)138-59(3)90(165)145-66(22-9-14-31-110)97(172)146-68(27-19-36-125-106(117)118)99(174)149-71(41-61-42-119-55-134-61)100(175)147-67(26-18-35-124-105(115)116)98(173)148-69(103(177)178)24-10-15-32-111)144-82(161)50-131-93(168)64(140-78(157)46-127-76(155)44-129-91(166)62(20-7-12-29-108)141-79(158)47-130-94(169)65(25-17-34-123-104(113)114)143-81(160)49-133-96(171)72(51-151)139-60(4)152)23-11-16-33-120-83(162)53-194-39-38-121-74(153)28-37-122-101(176)87(164)107(5,6)54-187-193(184,185)190-192(182,183)186-52-73-86(189-191(179,180)181)85(163)102(188-73)150-57-137-84-88(112)135-56-136-89(84)150/h42,55-59,62-73,85-87,102,151,163-164H,7-41,43-54,108-111H2,1-6H3,(H,119,134)(H,120,162)(H,121,153)(H,122,176)(H,126,154)(H,127,155)(H,128,167)(H,129,166)(H,130,169)(H,131,168)(H,132,170)(H,133,171)(H,138,156)(H,139,152)(H,140,157)(H,141,158)(H,142,159)(H,143,160)(H,144,161)(H,145,165)(H,146,172)(H,147,175)(H,148,173)(H,149,174)(H,177,178)(H,182,183)(H,184,185)(H2,112,135,136)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H2,179,180,181)/t59-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73+,85+,86+,87-,102+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
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n/an/a 8.15E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant p300


Bioorg Med Chem 17: 1381-6 (2009)


Article DOI: 10.1016/j.bmc.2008.12.014
BindingDB Entry DOI: 10.7270/Q2K35VKS
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50387477
PNG
(CHEMBL2047477)
Show SMILES CCn1c2cccc3cccc(c23)\c1=C\[CH+]\C=c1/n(CC)c2cccc3cccc1c23
Show InChI InChI=1S/C29H25N2/c1-3-30-24(22-14-5-10-20-12-7-18-26(30)28(20)22)16-9-17-25-23-15-6-11-21-13-8-19-27(29(21)23)31(25)4-2/h5-19H,3-4H2,1-2H3/q+1/b24-16-,25-17-
PDB

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n/an/a 8.30E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of His6X-tagged PRMT3 expressed in Escherichia coli BL21(DE3) cells using [14C]-S-adenosyl-L-methionine and histone H4 peptide after 8 min...


Eur J Med Chem 54: 647-59 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.017
BindingDB Entry DOI: 10.7270/Q2XD12R6
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50070952
PNG
(CHEMBL3409555)
Show SMILES [I-].CCCCN1\C(Sc2ccc(Br)cc12)=C\C=C\c1sc2ccc(Br)cc2[n+]1CCCC
Show InChI InChI=1S/C25H27Br2N2S2/c1-3-5-14-28-20-16-18(26)10-12-22(20)30-24(28)8-7-9-25-29(15-6-4-2)21-17-19(27)11-13-23(21)31-25/h7-13,16-17H,3-6,14-15H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 8.36E+3n/an/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Displacement of [3H]-SAM from recombinant His6-tagged PRMT5 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...


J Med Chem 58: 1228-43 (2015)


Article DOI: 10.1021/jm501452j
BindingDB Entry DOI: 10.7270/Q29S1SQN
More data for this
Ligand-Target Pair
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