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Compile Data Set for Download or QSAR

Found 107 hits Enz. Inhib. hit(s) with all data for entry = 2389   
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 5


(Homo sapiens (Human))
BDBM364153
PNG
(US9856252, 45)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1=CCNCC1)c1ccccc1 |t:20|
Show InChI InChI=1S/C24H22N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-12,25H,13-16H2,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364124
PNG
(US9856252, 16)
Show SMILES C(Oc1ccccc1)c1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCCNC1
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364120
PNG
(US9856252, 12)
Show SMILES C(Oc1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-2-4-17(5-3-1)16-29-21-8-6-19(7-9-21)23-27-22-14-20(15-26-24(22)28-23)18-10-12-25-13-11-18/h1-9,14-15,18,25H,10-13,16H2,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364134
PNG
(US9856252, 26)
Show SMILES CN1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25N5O/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,25,26,27)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364135
PNG
(US9856252, 27)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O3S/c1-2-34(31,32)30-16-14-29(15-17-30)23-13-12-22-25(27-23)28-24(26-22)20-8-10-21(11-9-20)33-18-19-6-4-3-5-7-19/h3-13H,2,14-18H2,1H3,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364207
PNG
(US9856252, 99)
Show SMILES CN1CCCC(C1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364198
PNG
(US9856252, 90)
Show SMILES CCS(=O)(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H28N4O3S/c1-2-34(31,32)30-16-14-20(15-17-30)23-12-13-24-26(27-23)29-25(28-24)21-8-10-22(11-9-21)33-18-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364194
PNG
(US9856252, 86)
Show SMILES CN1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O/c1-29-15-13-19(14-16-29)22-11-12-23-25(26-22)28-24(27-23)20-9-7-18(8-10-20)17-30-21-5-3-2-4-6-21/h2-12,19H,13-17H2,1H3,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364193
PNG
(US9856252, 85)
Show SMILES C(Oc1ccccc1)c1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C24H24N4O/c1-2-4-20(5-3-1)29-16-17-6-8-19(9-7-17)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-11,18,25H,12-16H2,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364206
PNG
(US9856252, 98)
Show SMILES CC(=O)N1CCC(=CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1 |c:6|
Show InChI InChI=1S/C26H24N4O2/c1-18(31)30-15-13-20(14-16-30)23-11-12-24-26(27-23)29-25(28-24)21-7-9-22(10-8-21)32-17-19-5-3-2-4-6-19/h2-13H,14-17H2,1H3,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364112
PNG
(US9856252, 4)
Show SMILES Clc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H14ClN3O/c20-16-10-11-21-19-17(16)22-18(23-19)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,21,22,23)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364155
PNG
(US9856252, 47)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)22-25-20-10-11-21(26-23(20)27-22)28-14-12-24-13-15-28/h1-11,24H,12-16H2,(H,25,26,27)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364143
PNG
(US9856252, 35)
Show SMILES C(Oc1ccccc1)c1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCCNC1
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364171
PNG
(US9856252, 63)
Show SMILES Cn1cc(cn1)-c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C28H28N6O/c1-34-17-23(16-31-34)24-13-21(7-8-26(24)35-18-19-5-3-2-4-6-19)27-32-25-14-22(15-30-28(25)33-27)20-9-11-29-12-10-20/h2-8,13-17,20,29H,9-12,18H2,1H3,(H,30,32,33)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364205
PNG
(US9856252, 97)
Show SMILES CCS(=O)(=O)N1CCC(=CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1 |c:8|
Show InChI InChI=1S/C26H26N4O3S/c1-2-34(31,32)30-16-14-20(15-17-30)23-12-13-24-26(27-23)29-25(28-24)21-8-10-22(11-9-21)33-18-19-6-4-3-5-7-19/h3-14H,2,15-18H2,1H3,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364148
PNG
(US9856252, 40)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C24H24N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-11,18,25H,12-16H2,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364209
PNG
(US9856252, 101)
Show SMILES CC1(O)CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O2/c1-25(30)13-15-29(16-14-25)22-12-11-21-24(27-22)28-23(26-21)19-7-9-20(10-8-19)31-17-18-5-3-2-4-6-18/h2-12,30H,13-17H2,1H3,(H,26,27,28)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364173
PNG
(US9856252, 65)
Show SMILES Fc1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C24H23FN4O/c25-20-12-18(6-7-22(20)30-15-16-4-2-1-3-5-16)23-28-21-13-19(14-27-24(21)29-23)17-8-10-26-11-9-17/h1-7,12-14,17,26H,8-11,15H2,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364200
PNG
(US9856252, 92)
Show SMILES O=S(=O)(C1CC1)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H27N5O3S/c32-35(33,22-10-11-22)31-16-14-30(15-17-31)24-13-12-23-26(28-24)29-25(27-23)20-6-8-21(9-7-20)34-18-19-4-2-1-3-5-19/h1-9,12-13,22H,10-11,14-18H2,(H,27,28,29)
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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364183
PNG
(US9856252, 75)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(OC)c1
Show InChI InChI=1S/C26H29N5O4S/c1-3-36(32,33)31-15-13-30(14-16-31)24-12-10-21-26(28-24)29-25(27-21)20-9-11-22(23(17-20)34-2)35-18-19-7-5-4-6-8-19/h4-12,17H,3,13-16,18H2,1-2H3,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364158
PNG
(US9856252, 50)
Show SMILES NCC1CCCN(C1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364208
PNG
(US9856252, 100)
Show SMILES C(Oc1ccc(cc1)-c1nc2cc(cnc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H23N5O/c1-2-4-17(5-3-1)16-29-20-8-6-18(7-9-20)22-26-21-14-19(15-25-23(21)27-22)28-12-10-24-11-13-28/h1-9,14-15,24H,10-13,16H2,(H,25,26,27)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364170
PNG
(US9856252, 62)
Show SMILES Brc1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C24H23BrN4O/c25-20-12-18(6-7-22(20)30-15-16-4-2-1-3-5-16)23-28-21-13-19(14-27-24(21)29-23)17-8-10-26-11-9-17/h1-7,12-14,17,26H,8-11,15H2,(H,27,28,29)
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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364166
PNG
(US9856252, 58)
Show SMILES Fc1cccc(COc2ccc(cc2)-c2nc3ccc(nc3[nH]2)N2CCNCC2)c1
Show InChI InChI=1S/C23H22FN5O/c24-18-3-1-2-16(14-18)15-30-19-6-4-17(5-7-19)22-26-20-8-9-21(27-23(20)28-22)29-12-10-25-11-13-29/h1-9,14,25H,10-13,15H2,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364151
PNG
(US9856252, 43)
Show SMILES Cc1cc(N)nc2[nH]c(nc12)-c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C20H18N4O/c1-13-11-17(21)22-20-18(13)23-19(24-20)15-9-7-14(8-10-15)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H3,21,22,23,24)
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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364172
PNG
(US9856252, 64)
Show SMILES C(Oc1ccc(cc1-c1cccnc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C29H27N5O/c1-2-5-20(6-3-1)19-35-27-9-8-22(15-25(27)23-7-4-12-31-17-23)28-33-26-16-24(18-32-29(26)34-28)21-10-13-30-14-11-21/h1-9,12,15-18,21,30H,10-11,13-14,19H2,(H,32,33,34)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364121
PNG
(US9856252, 13)
Show SMILES CC(=O)N1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C26H26N4O2/c1-18(31)30-13-11-20(12-14-30)22-15-24-26(27-16-22)29-25(28-24)21-7-9-23(10-8-21)32-17-19-5-3-2-4-6-19/h2-10,15-16,20H,11-14,17H2,1H3,(H,27,28,29)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364195
PNG
(US9856252, 87)
Show SMILES CS(=O)(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O3S/c1-33(30,31)29-15-13-19(14-16-29)22-11-12-23-25(26-22)28-24(27-23)20-7-9-21(10-8-20)32-17-18-5-3-2-4-6-18/h2-12,19H,13-17H2,1H3,(H,26,27,28)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364118
PNG
(US9856252, 10)
Show SMILES CC(=O)N1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C26H26N4O2/c1-18(31)30-13-11-20(12-14-30)22-15-24-26(27-16-22)29-25(28-24)21-9-7-19(8-10-21)17-32-23-5-3-2-4-6-23/h2-10,15-16,20H,11-14,17H2,1H3,(H,27,28,29)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364163
PNG
(US9856252, 55)
Show SMILES NCC1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H27N5O/c26-16-18-12-14-30(15-13-18)23-11-10-22-25(28-23)29-24(27-22)20-6-8-21(9-7-20)31-17-19-4-2-1-3-5-19/h1-11,18H,12-17,26H2,(H,27,28,29)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364117
PNG
(US9856252, 9)
Show SMILES C(Oc1ccccc1)c1ccc(cc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C24H24N4O/c1-2-4-21(5-3-1)29-16-17-6-8-19(9-7-17)23-27-22-14-20(15-26-24(22)28-23)18-10-12-25-13-11-18/h1-9,14-15,18,25H,10-13,16H2,(H,26,27,28)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364177
PNG
(US9856252, 69)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cnn(C)c1
Show InChI InChI=1S/C29H31N7O3S/c1-3-40(37,38)36-15-13-35(14-16-36)27-12-10-25-29(32-27)33-28(31-25)22-9-11-26(39-20-21-7-5-4-6-8-21)24(17-22)23-18-30-34(2)19-23/h4-12,17-19H,3,13-16,20H2,1-2H3,(H,31,32,33)
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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364156
PNG
(US9856252, 48)
Show SMILES CN(C)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H20N4O/c1-25(2)19-13-12-18-21(23-19)24-20(22-18)16-8-10-17(11-9-16)26-14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,22,23,24)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364196
PNG
(US9856252, 88)
Show SMILES CCOC(=O)N1CCC(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H28N4O3/c1-2-33-27(32)31-16-14-20(15-17-31)23-12-13-24-26(28-23)30-25(29-24)21-8-10-22(11-9-21)34-18-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,28,29,30)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364119
PNG
(US9856252, 11)
Show SMILES CN1CCC(CC1)c1cnc2[nH]c(nc2c1)-c1ccc(COc2ccccc2)cc1
Show InChI InChI=1S/C25H26N4O/c1-29-13-11-19(12-14-29)21-15-23-25(26-16-21)28-24(27-23)20-9-7-18(8-10-20)17-30-22-5-3-2-4-6-22/h2-10,15-16,19H,11-14,17H2,1H3,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364130
PNG
(US9856252, 22)
Show SMILES CC(=O)NCCNc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O2/c1-16(29)24-13-14-25-21-12-11-20-23(27-21)28-22(26-20)18-7-9-19(10-8-18)30-15-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,24,29)(H2,25,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364131
PNG
(US9856252, 23)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCSCC1)c1ccccc1
Show InChI InChI=1S/C23H22N4OS/c1-2-4-17(5-3-1)16-28-19-8-6-18(7-9-19)22-24-20-10-11-21(25-23(20)26-22)27-12-14-29-15-13-27/h1-11H,12-16H2,(H,24,25,26)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364167
PNG
(US9856252, 59)
Show SMILES Fc1ccc(COc2ccc(cc2)-c2nc3ccc(nc3[nH]2)N2CCNCC2)cc1
Show InChI InChI=1S/C23H22FN5O/c24-18-5-1-16(2-6-18)15-30-19-7-3-17(4-8-19)22-26-20-9-10-21(27-23(20)28-22)29-13-11-25-12-14-29/h1-10,25H,11-15H2,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364179
PNG
(US9856252, 71)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)c(c1)-c1cccnc1
Show InChI InChI=1S/C30H30N6O3S/c1-2-40(37,38)36-17-15-35(16-18-36)28-13-11-26-30(33-28)34-29(32-26)23-10-12-27(39-21-22-7-4-3-5-8-22)25(19-23)24-9-6-14-31-20-24/h3-14,19-20H,2,15-18,21H2,1H3,(H,32,33,34)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364159
PNG
(US9856252, 51)
Show SMILES C(Nc1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1)C1CCCCN1
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364211
PNG
(US9856252, 103)
Show SMILES Cc1nnc2CN(CCn12)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C25H23N7O/c1-17-29-30-23-15-31(13-14-32(17)23)22-12-11-21-25(27-22)28-24(26-21)19-7-9-20(10-8-19)33-16-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364132
PNG
(US9856252, 24)
Show SMILES O=S1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H22N4O2S/c28-30-14-12-27(13-15-30)21-11-10-20-23(25-21)26-22(24-20)18-6-8-19(9-7-18)29-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,25,26)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364161
PNG
(US9856252, 53)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(NC3CCNCC3)nc2[nH]1)c1ccccc1
Show InChI InChI=1S/C24H25N5O/c1-2-4-17(5-3-1)16-30-20-8-6-18(7-9-20)23-27-21-10-11-22(28-24(21)29-23)26-19-12-14-25-15-13-19/h1-11,19,25H,12-16H2,(H2,26,27,28,29)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364162
PNG
(US9856252, 54)
Show SMILES NC1CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C24H25N5O/c25-19-12-14-29(15-13-19)22-11-10-21-24(27-22)28-23(26-21)18-6-8-20(9-7-18)30-16-17-4-2-1-3-5-17/h1-11,19H,12-16,25H2,(H,26,27,28)
PDB

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364204
PNG
(US9856252, 96)
Show SMILES C(Sc1ccc(cc1)-c1nc2ccc(nc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C23H23N5S/c1-2-4-17(5-3-1)16-29-19-8-6-18(7-9-19)22-25-20-10-11-21(26-23(20)27-22)28-14-12-24-13-15-28/h1-11,24H,12-16H2,(H,25,26,27)
PDB

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Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364145
PNG
(US9856252, 37)
Show SMILES C(Oc1ccc(cc1)-c1nc2ccc(nc2[nH]1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C24H18N4O/c1-2-4-17(5-3-1)16-29-20-8-6-19(7-9-20)23-27-22-11-10-21(26-24(22)28-23)18-12-14-25-15-13-18/h1-15H,16H2,(H,26,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 592n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364174
PNG
(US9856252, 66)
Show SMILES COC(=O)c1cc(ccc1OCc1ccccc1)-c1nc2cc(cnc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C26H26N4O3/c1-32-26(31)21-13-19(7-8-23(21)33-16-17-5-3-2-4-6-17)24-29-22-14-20(15-28-25(22)30-24)18-9-11-27-12-10-18/h2-8,13-15,18,27H,9-12,16H2,1H3,(H,28,29,30)
PDB

UniProtKB/SwissProt

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Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364141
PNG
(US9856252, 33)
Show SMILES O=C1CN(CCN1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H21N5O2/c29-21-14-28(13-12-24-21)20-11-10-19-23(26-20)27-22(25-19)17-6-8-18(9-7-17)30-15-16-4-2-1-3-5-16/h1-11H,12-15H2,(H,24,29)(H,25,26,27)
PDB

UniProtKB/SwissProt

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n/an/a 609n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364133
PNG
(US9856252, 25)
Show SMILES O=S1(=O)CCN(CC1)c1ccc2nc([nH]c2n1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H22N4O3S/c28-31(29)14-12-27(13-15-31)21-11-10-20-23(25-21)26-22(24-20)18-6-8-19(9-7-18)30-16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,25,26)
PDB

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antibodypedia
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n/an/a 619n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM364113
PNG
(US9856252, 5 | US9856252, 78)
Show SMILES Cc1ccnc2[nH]c(nc12)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H17N3O/c1-14-11-12-21-20-18(14)22-19(23-20)16-7-9-17(10-8-16)24-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 633n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The 6 μL assay reactions are run in Greiner brand black 384-well low volume plates. All reactions contained assay buffer (phosphate buffered sal...


J Med Chem 49: 2440-55 (2006)


BindingDB Entry DOI: 10.7270/Q2BK1FNV
More data for this
Ligand-Target Pair
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