Found 2385 hits of ic50 data for polymerid = 7696 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50258790
((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 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301077
(2-(4-(2-(2,6-dimethoxyphenyl)-7-methyl-1H-benzo[d]...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(OC)cccc1OC Show InChI InChI=1S/C24H32N4O2/c1-16-14-18(17-8-11-28(12-9-17)13-10-25-2)15-19-23(16)27-24(26-19)22-20(29-3)6-5-7-21(22)30-4/h5-7,14-15,17,25H,8-13H2,1-4H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301079
(2-(4-(2-(2-fluoro-6-methoxyphenyl)-7-methyl-1H-ben...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(F)cccc1OC Show InChI InChI=1S/C23H29FN4O/c1-15-13-17(16-7-10-28(11-8-16)12-9-25-2)14-19-22(15)27-23(26-19)21-18(24)5-4-6-20(21)29-3/h4-6,13-14,16,25H,7-12H2,1-3H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301078
(2-(4-(2-(4-fluoro-2-methoxyphenyl)-7-methyl-1H-ben...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccc(F)cc1OC Show InChI InChI=1S/C23H29FN4O/c1-15-12-17(16-6-9-28(10-7-16)11-8-25-2)13-20-22(15)27-23(26-20)19-5-4-18(24)14-21(19)29-3/h4-5,12-14,16,25H,6-11H2,1-3H3,(H,26,27) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301076
(2-(4-(2-(2-methoxyphenyl)-4-methyl-1H-benzo[d]imid...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1OC Show InChI InChI=1S/C23H30N4O/c1-16-14-18(17-8-11-27(12-9-17)13-10-24-2)15-20-22(16)26-23(25-20)19-6-4-5-7-21(19)28-3/h4-7,14-15,17,24H,8-13H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609320
(CHEMBL5272699)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1c(C)nn(C)c1C |(27.17,-23.66,;28.51,-22.89,;29.84,-23.66,;31.18,-22.89,;32.51,-23.66,;33.84,-22.89,;35.18,-23.66,;35.17,-25.2,;36.51,-25.98,;37.85,-25.2,;37.84,-23.65,;36.51,-22.89,;39.17,-22.88,;39.16,-21.35,;40.48,-20.57,;40.47,-19.03,;39.13,-18.27,;39.13,-16.73,;37.79,-15.97,;36.46,-16.74,;36.47,-18.28,;37.81,-19.05,;41.83,-21.33,;43.16,-20.56,;41.83,-22.88,;40.5,-23.65,;43.16,-23.64,;43.33,-25.16,;42.19,-26.19,;44.83,-25.47,;45.59,-24.14,;47.12,-23.97,;44.56,-23,;44.87,-21.49,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301075
(2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]p...)Show SMILES CNCCN1CCC(CC1)c1cnc2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C20H26N6O/c1-21-8-11-26-9-5-14(6-10-26)15-12-17-19(23-13-15)25-18(24-17)16-4-3-7-22-20(16)27-2/h3-4,7,12-14,21H,5-6,8-11H2,1-2H3,(H,23,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609337
(CHEMBL5270700)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2CCN(CC2)S(C)(=O)=O)c(C)c(n1)-c1c(C)noc1C |(-.62,-12.4,;.73,-11.63,;2.06,-12.4,;3.4,-11.63,;4.73,-12.4,;6.06,-11.63,;7.4,-12.4,;7.4,-13.94,;8.73,-14.71,;10.07,-13.94,;10.06,-12.39,;8.73,-11.62,;11.39,-11.61,;11.38,-10.08,;12.7,-9.3,;12.69,-7.76,;14.02,-6.99,;14.01,-5.46,;12.67,-4.69,;11.35,-5.47,;11.35,-7.01,;12.67,-3.15,;14,-2.37,;11.13,-3.15,;11.9,-1.81,;14.05,-10.07,;15.38,-9.29,;14.05,-11.61,;12.72,-12.38,;15.38,-12.37,;16.78,-11.74,;17.09,-10.23,;17.81,-12.87,;17.05,-14.2,;15.55,-13.89,;14.41,-14.93,)| | PDB
UniProtKB/SwissProt
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AffyNet
| UniChem
| | n/a | n/a | 0.780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301069
(2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C22H29N5O/c1-15-13-17(16-6-10-27(11-7-16)12-9-23-2)14-19-20(15)26-21(25-19)18-5-4-8-24-22(18)28-3/h4-5,8,13-14,16,23H,6-7,9-12H2,1-3H3,(H,25,26) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.840 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609315
(CHEMBL5274219)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cccnc1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609333
(CHEMBL5291238)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2CCOCC2)c(C)c(n1)-c1c(C)noc1C |(56.98,-24.82,;58.31,-24.05,;59.65,-24.82,;60.98,-24.05,;62.31,-24.82,;63.65,-24.05,;64.98,-24.82,;64.98,-26.36,;66.31,-27.13,;67.65,-26.36,;67.65,-24.81,;66.31,-24.05,;68.98,-24.04,;68.96,-22.51,;70.29,-21.73,;70.28,-20.19,;71.6,-19.42,;71.6,-17.88,;70.26,-17.11,;68.93,-17.89,;68.93,-19.44,;71.63,-22.49,;72.96,-21.72,;71.64,-24.03,;70.31,-24.81,;72.97,-24.8,;74.37,-24.16,;74.68,-22.65,;75.4,-25.3,;74.64,-26.63,;73.14,-26.32,;72,-27.35,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609339
(CHEMBL5271782)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2Cc3cccnc3C2)c(C)c(n1)-c1c(C)noc1C |(42.94,-11.42,;44.27,-10.65,;45.61,-11.42,;46.94,-10.65,;48.28,-11.42,;49.61,-10.65,;50.94,-11.42,;50.94,-12.97,;52.28,-13.74,;53.61,-12.96,;53.61,-11.41,;52.27,-10.65,;54.94,-10.64,;54.92,-9.11,;56.25,-8.33,;56.24,-6.79,;54.99,-5.9,;55.45,-4.43,;54.67,-3.1,;55.43,-1.76,;56.98,-1.75,;57.76,-3.08,;57,-4.42,;57.48,-5.88,;57.59,-9.09,;58.92,-8.32,;57.6,-10.64,;56.27,-11.41,;58.93,-11.4,;60.33,-10.76,;60.64,-9.25,;61.36,-11.9,;60.6,-13.23,;59.1,-12.92,;57.96,-13.95,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301073
(2-(4-(2-(2-methoxypyridin-3-yl)-1H-benzo[d]imidazo...)Show SMILES CNCCN1CCC(CC1)c1ccc2nc([nH]c2c1)-c1cccnc1OC Show InChI InChI=1S/C21H27N5O/c1-22-10-13-26-11-7-15(8-12-26)16-5-6-18-19(14-16)25-20(24-18)17-4-3-9-23-21(17)27-2/h3-6,9,14-15,22H,7-8,10-13H2,1-2H3,(H,24,25) | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609307
(CHEMBL5288947)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1c(C)noc1C |(22.69,-23,;24.03,-22.23,;25.36,-23,;26.69,-22.23,;28.03,-23,;29.36,-22.23,;30.7,-23,;30.69,-24.54,;32.03,-25.31,;33.37,-24.54,;33.36,-22.99,;32.02,-22.23,;34.69,-22.22,;34.68,-20.69,;36,-19.91,;35.99,-18.37,;34.65,-17.61,;34.64,-16.06,;33.31,-15.3,;31.98,-16.08,;31.99,-17.62,;33.33,-18.39,;37.35,-20.67,;38.68,-19.9,;37.35,-22.21,;36.02,-22.99,;38.68,-22.98,;40.08,-22.34,;40.39,-20.83,;41.11,-23.48,;40.35,-24.81,;38.85,-24.49,;37.71,-25.53,)| | PDB
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| PDB
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609313
(CHEMBL5283756)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccc(O)cc1 | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| UniChem
| | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609334
(CHEMBL5287824)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2CCS(=O)(=O)CC2)c(C)c(n1)-c1c(C)noc1C |(2.98,-41.38,;4.31,-40.61,;5.64,-41.38,;6.98,-40.61,;8.31,-41.38,;9.65,-40.61,;10.98,-41.38,;10.98,-42.92,;12.31,-43.69,;13.65,-42.92,;13.64,-41.37,;12.31,-40.61,;14.97,-40.6,;14.96,-39.07,;16.29,-38.29,;16.27,-36.75,;17.6,-35.97,;17.6,-34.44,;16.26,-33.67,;15.48,-32.33,;17.03,-32.33,;14.93,-34.45,;14.93,-36,;17.63,-39.05,;18.96,-38.28,;17.64,-40.59,;16.31,-41.37,;18.97,-41.36,;20.37,-40.72,;20.68,-39.21,;21.4,-41.86,;20.64,-43.19,;19.13,-42.87,;17.99,-43.91,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50612685
(CHEMBL5283866)Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](CCNC(=N)NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(N)=O |r| | PDB
UniProtKB/SwissProt
B.MOAD
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AffyNet
| UniChem
| | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609318
(CHEMBL5271800)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccnn1C | PDB
UniProtKB/SwissProt
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AffyNet
| UniChem
| | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301074
(2-(4-(2-(2-methoxypyridin-3-yl)-1-methyl-1H-benzo[...)Show SMILES CNCCN1CCC(CC1)c1ccc2n(C)c(nc2c1)-c1cccnc1OC Show InChI InChI=1S/C22H29N5O/c1-23-11-14-27-12-8-16(9-13-27)17-6-7-20-19(15-17)25-21(26(20)2)18-5-4-10-24-22(18)28-3/h4-7,10,15-16,23H,8-9,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50598022
(CHEMBL5173678)Show SMILES COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NC\C=C\[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r| | PDB
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00252
BindingDB Entry DOI: 10.7270/Q2DF6W8F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609306
(CHEMBL5289496)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccncc1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609300
(CHEMBL5266562)Show SMILES CNCCNCc1cccc(c1)-c1nc(Nc2ccccc2)c(C)c(n1)-c1c(C)noc1C |(3.97,-25.93,;5.31,-25.16,;6.64,-25.93,;7.97,-25.16,;9.31,-25.93,;10.64,-25.16,;11.98,-25.93,;11.97,-27.48,;13.31,-28.25,;14.64,-27.48,;14.64,-25.92,;13.3,-25.16,;15.97,-25.15,;15.96,-23.62,;17.28,-22.84,;17.27,-21.3,;18.6,-20.52,;19.93,-21.29,;21.26,-20.51,;21.25,-18.97,;19.9,-18.21,;18.58,-18.99,;18.63,-23.61,;19.96,-22.83,;18.63,-25.15,;17.3,-25.92,;19.96,-25.91,;21.36,-25.27,;21.67,-23.76,;22.39,-26.41,;21.63,-27.74,;20.13,-27.43,;18.99,-28.46,)| | PDB
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609319
(CHEMBL5289683)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cn(C)nc1C | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM440444
(US10633389, Example 109-3 | US20230279020, Example...)Show SMILES CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCN(CC3)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-12.28,1.03,;-10.95,.26,;-9.61,1.03,;-8.28,.26,;-8.28,-1.28,;-6.94,1.03,;-5.61,.26,;-4.28,1.03,;-4.28,2.57,;-2.94,3.34,;-1.61,2.57,;-.28,3.34,;-1.61,1.03,;-2.94,.26,;-.28,.26,;1.06,1.03,;2.39,.26,;3.72,1.03,;5.21,.63,;5.61,2.11,;4.12,2.51,;6.94,1.34,;8.28,2.11,;8.28,3.65,;6.94,4.42,;5.61,3.65,;9.61,4.42,;9.61,5.96,;10.95,3.65,;12.28,4.42,;2.39,-1.28,;3.72,-2.05,;1.06,-2.05,;-.28,-1.28,;1.06,-3.59,;-.19,-4.5,;-1.65,-4.02,;.29,-5.96,;1.83,-5.96,;2.3,-4.5,;3.77,-4.02,)| Show InChI InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3/t20-/m1/s1 | PDB
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609322
(CHEMBL5284876)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccnc2[nH]ccc12 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM178103
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3 | PDB
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TBA
| Assay Description
Inhibition of PRMT4 (unknown origin) by scintillation proximity assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02160
BindingDB Entry DOI: 10.7270/Q20V8HN0 |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM178103
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3 | PDB
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Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of PRMT4 (unknown origin) using biotinylated histone H4 (1 to 24 residues) as substrate in presence of [3H]SAM by scintillation proximity ... |
J Med Chem 62: 5414-5433 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00297
BindingDB Entry DOI: 10.7270/Q289199B |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM178103
(MS023 (Compound 3) | N1-((4-(4-isopropoxyphenyl)-1...)Show InChI InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3 | PDB
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Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human PRMT4 assessed as inhibition of methylation activity using biotin-labeled peptide as substrate and [3H]-SAM by scintillation prox... |
J Med Chem 59: 9124-9139 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609332
(CHEMBL5268692)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)c(C)c(n1)-c1c(C)noc1C |(29.29,-25.82,;30.62,-25.05,;31.96,-25.82,;33.29,-25.05,;34.62,-25.82,;35.96,-25.05,;37.29,-25.81,;37.29,-27.36,;38.62,-28.13,;39.96,-27.36,;39.96,-25.81,;38.62,-25.04,;41.29,-25.03,;41.27,-23.5,;42.6,-22.72,;42.59,-21.18,;41.25,-20.42,;41.24,-18.88,;39.91,-18.12,;38.58,-18.89,;38.58,-20.43,;39.92,-21.2,;37.23,-18.12,;37.23,-16.59,;36.83,-19.61,;35.74,-18.51,;43.94,-23.49,;45.27,-22.71,;43.95,-25.03,;42.62,-25.8,;45.28,-25.79,;46.68,-25.16,;46.99,-23.65,;47.71,-26.29,;46.95,-27.62,;45.45,-27.31,;44.31,-28.35,)| | PDB
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Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609317
(CHEMBL5274541)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cncnc1 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609324
(CHEMBL5277620)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cccc2cnccc12 | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50301080
(CHEMBL567298 | N-methyl-2-(4-(7-methyl-2-phenyl-1H...)Show SMILES CNCCN1CCC(CC1)c1cc(C)c2nc([nH]c2c1)-c1ccccc1 Show InChI InChI=1S/C22H28N4/c1-16-14-19(17-8-11-26(12-9-17)13-10-23-2)15-20-21(16)25-22(24-20)18-6-4-3-5-7-18/h3-7,14-15,17,23H,8-13H2,1-2H3,(H,24,25) | PDB
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human CARM1 assessed as inhibition of histone3 methylation |
Bioorg Med Chem Lett 19: 5063-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.040
BindingDB Entry DOI: 10.7270/Q2KW5G3W |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609312
(CHEMBL5273938)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccc(OC(F)(F)F)cc1 | PDB
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Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609311
(CHEMBL5279093)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccc(cc1)S(C)(=O)=O | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM440444
(US10633389, Example 109-3 | US20230279020, Example...)Show SMILES CNC[C@@H](O)COc1ccc(Cl)c(c1)-c1nc(N2CC3(C2)CCN(CC3)C(=O)OC)c(C)c(n1)-c1c(C)noc1C |r,wD:3.3,(-12.28,1.03,;-10.95,.26,;-9.61,1.03,;-8.28,.26,;-8.28,-1.28,;-6.94,1.03,;-5.61,.26,;-4.28,1.03,;-4.28,2.57,;-2.94,3.34,;-1.61,2.57,;-.28,3.34,;-1.61,1.03,;-2.94,.26,;-.28,.26,;1.06,1.03,;2.39,.26,;3.72,1.03,;5.21,.63,;5.61,2.11,;4.12,2.51,;6.94,1.34,;8.28,2.11,;8.28,3.65,;6.94,4.42,;5.61,3.65,;9.61,4.42,;9.61,5.96,;10.95,3.65,;12.28,4.42,;2.39,-1.28,;3.72,-2.05,;1.06,-2.05,;-.28,-1.28,;1.06,-3.59,;-.19,-4.5,;-1.65,-4.02,;.29,-5.96,;1.83,-5.96,;2.3,-4.5,;3.77,-4.02,)| Show InChI InChI=1S/C29H37ClN6O5/c1-17-25(24-18(2)34-41-19(24)3)32-26(22-12-21(6-7-23(22)30)40-14-20(37)13-31-4)33-27(17)36-15-29(16-36)8-10-35(11-9-29)28(38)39-5/h6-7,12,20,31,37H,8-11,13-16H2,1-5H3/t20-/m1/s1 | PDB
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609323
(CHEMBL5290292)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cccc2ncccc12 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609316
(CHEMBL5269937)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccccn1 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50598021
(CHEMBL5191769)Show SMILES COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00252
BindingDB Entry DOI: 10.7270/Q2DF6W8F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50598020
(CHEMBL5202088)Show SMILES COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)ccc2c1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00252
BindingDB Entry DOI: 10.7270/Q2DF6W8F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609301
(CHEMBL4559961)Show SMILES CNCCN1CCC(CC1)c1cc(CN(C)C(=O)c2cccc(Oc3ccccc3)c2)ccn1 | PDB
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More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609340
(CHEMBL5289773)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2Cc3ccccc3C2)c(C)c(n1)-c1c(C)noc1C |(65.26,-11.76,;66.59,-10.99,;67.93,-11.76,;69.26,-10.99,;70.59,-11.76,;71.93,-10.99,;73.26,-11.76,;73.26,-13.3,;74.59,-14.07,;75.93,-13.3,;75.93,-11.75,;74.59,-10.99,;77.26,-10.98,;77.24,-9.45,;78.57,-8.67,;78.55,-7.13,;79.79,-6.22,;79.31,-4.76,;80.08,-3.42,;79.3,-2.09,;77.75,-2.1,;76.99,-3.44,;77.77,-4.77,;77.3,-6.24,;79.91,-9.43,;81.24,-8.66,;79.92,-10.97,;78.59,-11.75,;81.25,-11.74,;82.65,-11.1,;82.96,-9.59,;83.68,-12.24,;82.92,-13.57,;81.41,-13.26,;80.27,-14.29,)| | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609305
(CHEMBL5290611)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1ccccc1 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609321
(CHEMBL5266548)Show SMILES CNCCNCc1cccc(c1)-c1nc(NC2CCOCC2)c(C)c(n1)-c1cccc2[nH]ccc12 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609341
(CHEMBL5270405)Show SMILES CNCCNCc1cccc(c1)-c1nc(Nc2ccccc2)c(C)c(n1)-c1cccnc1 | PDB
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609336
(CHEMBL5285757)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2CCN(CC2)C(C)=O)c(C)c(n1)-c1c(C)noc1C |(55.49,-42.12,;56.83,-41.35,;58.16,-42.12,;59.49,-41.35,;60.83,-42.12,;62.16,-41.35,;63.5,-42.12,;63.49,-43.66,;64.83,-44.43,;66.17,-43.66,;66.16,-42.11,;64.82,-41.34,;67.49,-41.33,;67.48,-39.8,;68.8,-39.02,;68.79,-37.48,;70.12,-36.71,;70.11,-35.18,;68.77,-34.41,;67.44,-35.19,;67.45,-36.73,;68.76,-32.87,;70.09,-32.09,;67.43,-32.1,;70.15,-39.79,;71.48,-39.01,;70.15,-41.33,;68.82,-42.1,;71.48,-42.09,;72.88,-41.46,;73.19,-39.95,;73.91,-42.59,;73.15,-43.92,;71.65,-43.61,;70.51,-44.65,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
| UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50609335
(CHEMBL5279447)Show SMILES CNCCNCc1cccc(c1)-c1nc(N2CCN(C)CC2)c(C)c(n1)-c1c(C)noc1C |(28.27,-42,;29.6,-41.23,;30.94,-42,;32.27,-41.23,;33.6,-42,;34.94,-41.23,;36.27,-42,;36.27,-43.54,;37.6,-44.31,;38.94,-43.54,;38.93,-41.99,;37.6,-41.23,;40.26,-41.21,;40.25,-39.68,;41.58,-38.91,;41.56,-37.37,;42.89,-36.59,;42.89,-35.06,;41.55,-34.29,;41.54,-32.75,;40.22,-35.07,;40.22,-36.61,;42.92,-39.67,;44.25,-38.89,;42.93,-41.21,;41.6,-41.99,;44.26,-41.97,;45.66,-41.34,;45.97,-39.83,;46.69,-42.47,;45.93,-43.81,;44.42,-43.49,;43.28,-44.53,)| | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50194730
(CHEMBL3906680)Show InChI InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-14(7-10-18)19-12-13-4-2-3-5-15(13)16/h2-5,14,17H,6-12H2,1H3 | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr... |
J Med Chem 59: 9124-9139 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50194785
(CHEMBL3956007)Show InChI InChI=1S/C20H30N4O/c1-16-14-17(2)24(22-16)19-6-4-18(5-7-19)15-25-20-8-11-23(12-9-20)13-10-21-3/h4-7,14,20-21H,8-13,15H2,1-3H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr... |
J Med Chem 59: 9124-9139 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50194766
(CHEMBL3938938)Show InChI InChI=1S/C15H23BrN2O/c1-17-8-11-18-9-6-15(7-10-18)19-12-13-2-4-14(16)5-3-13/h2-5,15,17H,6-12H2,1H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr... |
J Med Chem 59: 9124-9139 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ |
More data for this
Ligand-Target Pair | |
Histone-arginine methyltransferase CARM1
(Homo sapiens (Human)) | BDBM50194780
(CHEMBL3911620)Show InChI InChI=1S/C20H34N2O/c1-5-20(2,3)18-8-6-17(7-9-18)16-23-19-10-13-22(14-11-19)15-12-21-4/h6-9,19,21H,5,10-16H2,1-4H3 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Icahn School of Medicine at Mount Sinai
Curated by ChEMBL
| Assay Description
Inhibition of human full length PRMT4 (1 to 608 residues) expressed in 293F cells assessed as inhibition of methylation activity preincubated with pr... |
J Med Chem 59: 9124-9139 (2016)
Article DOI: 10.1021/acs.jmedchem.6b01033
BindingDB Entry DOI: 10.7270/Q2028TGJ |
More data for this
Ligand-Target Pair | |
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