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PubMed code 19419866

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258814
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenylamino)-1,3,...)
Show SMILES COc1ccccc1Nc1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H22F3N7O3/c1-13(27)20(34)28-12-14-6-5-7-15(10-14)33-17(11-19(32-33)23(24,25)26)21-30-31-22(36-21)29-16-8-3-4-9-18(16)35-2/h3-11,13H,12,27H2,1-2H3,(H,28,34)(H,29,31)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258789
PNG
((S)-2-amino-N-(3-(5-(5-(2-chlorophenyl)-1,3,4-oxad...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1Cl)C(F)(F)F |r|
Show InChI InChI=1S/C22H18ClF3N6O2/c1-12(27)19(33)28-11-13-5-4-6-14(9-13)32-17(10-18(31-32)22(24,25)26)21-30-29-20(34-21)15-7-2-3-8-16(15)23/h2-10,12H,11,27H2,1H3,(H,28,33)/t12-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258787
PNG
((S)-2-amino-N-(3-(5-(5-(2-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1ccccc1-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-6-5-7-15(10-14)32-17(11-19(31-32)23(24,25)26)22-30-29-21(35-22)16-8-3-4-9-18(16)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258747
PNG
((S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)19(32)27-12-14-6-5-9-16(10-14)31-17(11-18(30-31)22(23,24)25)21-29-28-20(33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM27659
PNG
(1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-be...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1C(=O)NCc1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N5O2/c1-14(26)20(31)27-13-16-8-5-9-17(10-16)30-18(11-19(29-30)22(23,24)25)21(32)28-12-15-6-3-2-4-7-15/h2-11,14H,12-13,26H2,1H3,(H,27,31)(H,28,32)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258815
PNG
((S)-2-amino-N-(3-(3-methyl-5-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(C)cc1-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H22N6O2/c1-14-11-19(22-26-25-21(30-22)17-8-4-3-5-9-17)28(27-14)18-10-6-7-16(12-18)13-24-20(29)15(2)23/h3-12,15H,13,23H2,1-2H3,(H,24,29)/t15-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258788
PNG
((S)-2-amino-N-(3-(5-(5-(3-methoxyphenyl)-1,3,4-oxa...)
Show SMILES COc1cccc(c1)-c1nnc(o1)-c1cc(nn1-c1cccc(CNC(=O)[C@H](C)N)c1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O3/c1-13(27)20(33)28-12-14-5-3-7-16(9-14)32-18(11-19(31-32)23(24,25)26)22-30-29-21(35-22)15-6-4-8-17(10-15)34-2/h3-11,13H,12,27H2,1-2H3,(H,28,33)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258748
PNG
((S)-2-amino-N-(3-(5-(3-phenyl-1,2,4-oxadiazol-5-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nc(no1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H19F3N6O2/c1-13(26)20(32)27-12-14-6-5-9-16(10-14)31-17(11-18(29-31)22(23,24)25)21-28-19(30-33-21)15-7-3-2-4-8-15/h2-11,13H,12,26H2,1H3,(H,27,32)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258749
PNG
((S)-2-amino-N-(3-(5-(5-benzyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(Cc2ccccc2)o1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O2/c1-14(27)21(33)28-13-16-8-5-9-17(10-16)32-18(12-19(31-32)23(24,25)26)22-30-29-20(34-22)11-15-6-3-2-4-7-15/h2-10,12,14H,11,13,27H2,1H3,(H,28,33)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258859
PNG
((S)-2-amino-N-(3-(4-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1ocnc1-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H19N5O3/c1-13(22)19(27)23-11-14-6-5-9-16(10-14)18-17(24-12-28-18)21-26-25-20(29-21)15-7-3-2-4-8-15/h2-10,12-13H,11,22H2,1H3,(H,23,27)/t13-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258817
PNG
((S)-2-amino-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1nn(C)cc1-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H22N6O2/c1-14(23)20(29)24-12-15-7-6-10-17(11-15)19-18(13-28(2)27-19)22-26-25-21(30-22)16-8-4-3-5-9-16/h3-11,13-14H,12,23H2,1-2H3,(H,24,29)/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258750
PNG
((S)-2-amino-N-(3-(5-(5-(pyridin-4-yl)-1,3,4-oxadia...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccncc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H18F3N7O2/c1-12(25)18(32)27-11-13-3-2-4-15(9-13)31-16(10-17(30-31)21(22,23)24)20-29-28-19(33-20)14-5-7-26-8-6-14/h2-10,12H,11,25H2,1H3,(H,27,32)/t12-/m0/s1
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n/an/a 1.54E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258860
PNG
((S)-2-amino-N-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1cncc1-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H20N6O2/c1-14(22)19(28)24-11-15-6-5-9-17(10-15)27-13-23-12-18(27)21-26-25-20(29-21)16-7-3-2-4-8-16/h2-10,12-14H,11,22H2,1H3,(H,24,28)/t14-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258816
PNG
((S)-2-amino-N-(3-(1-methyl-4-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-c1c(cnn1C)-c1nnc(o1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H22N6O2/c1-14(23)20(29)24-12-15-7-6-10-17(11-15)19-18(13-25-28(19)2)22-27-26-21(30-22)16-8-4-3-5-9-16/h3-11,13-14H,12,23H2,1-2H3,(H,24,29)/t14-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258862
PNG
((S)-N1-(3-(5-(5-phenyl-1,3,4-oxadiazol-2-yl)-3-(tr...)
Show SMILES C[C@H](N)CNCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H21F3N6O/c1-14(26)12-27-13-15-6-5-9-17(10-15)31-18(11-19(30-31)22(23,24)25)21-29-28-20(32-21)16-7-3-2-4-8-16/h2-11,14,27H,12-13,26H2,1H3/t14-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))		BDBM50258861
PNG
((S)-2-amino-N-methyl-N-(3-(5-(5-phenyl-1,3,4-oxadi...)
Show SMILES C[C@H](N)C(=O)N(C)Cc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1ccccc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F3N6O2/c1-14(27)22(33)31(2)13-15-7-6-10-17(11-15)32-18(12-19(30-32)23(24,25)26)21-29-28-20(34-21)16-8-4-3-5-9-16/h3-12,14H,13,27H2,1-2H3/t14-/m0/s1
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Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CARM1 assessed as blockade of histone H3 methylation

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371]


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 by methylation assay

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3 [N508S]


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 by methylation assay

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 expressed in human hepatocytes

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 expressed in human hepatocytes

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 expressed in human hepatocytes

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 expressed in human hepatocytes

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))		BDBM50258790
PNG
((S)-2-amino-N-(3-(5-(5-(benzo[d]thiazol-7-yl)-1,3,...)
Show SMILES C[C@H](N)C(=O)NCc1cccc(c1)-n1nc(cc1-c1nnc(o1)-c1cccc2ncsc12)C(F)(F)F |r|
Show InChI InChI=1S/C23H18F3N7O2S/c1-12(27)20(34)28-10-13-4-2-5-14(8-13)33-17(9-18(32-33)23(24,25)26)22-31-30-21(35-22)15-6-3-7-16-19(15)36-11-29-16/h2-9,11-12H,10,27H2,1H3,(H,28,34)/t12-/m0/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PXR

Bioorg Med Chem Lett 19: 2924-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.075
BindingDB Entry DOI: 10.7270/Q24B3170
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%