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Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'moya' and Initial = 'k'   
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
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601067
PNG
(CHEMBL5208088 | US11702418, Example 6-4)
Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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0.330n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601075
PNG
(CHEMBL5202472 | US11702418, Example 6-9)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601069
PNG
(CHEMBL5191446 | US11702418, Example 6-7)
Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N1CCN(C)C(=O)C1)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601065
PNG
(CHEMBL5206295 | US11702418, Example 4-4)
Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nnc(C)c2cc(OC)c(OC)cc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601076
PNG
(CHEMBL5209371 | US11702418, Example 6-12)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601072
PNG
(CHEMBL5176365 | US11702418, Example 9-2)
Show SMILES C[C@@H](Nc1nnc(N(C)C)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601083
PNG
(CHEMBL5193021)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(Br)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601084
PNG
(CHEMBL5192659 | US11702418, Example 12-10)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(C#N)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601066
PNG
(CHEMBL5179610 | US11702418, Example 10-45)
Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)N(C)C)c1cccc(c1C)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601085
PNG
(CHEMBL5198950 | US11702418, Example 6-19)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1C)S(C)(=O)=O |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601091
PNG
(CHEMBL5171096 | US11702418, Example 4-1)
Show SMILES COc1cc2c(C)nnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601077
PNG
(CHEMBL5176509 | US11702418, Example 12-50)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1F)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601068
PNG
(CHEMBL5176696)
Show SMILES C[C@@H](Nc1nnc(C)c2ccc(cc12)C1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601064
PNG
(CHEMBL5174300 | US11702418, Example 1-14)
Show SMILES CNCc1ccccc1-c1csc(c1)[C@@H](C)Nc1nncc2cc(OC)c(OC)cc12 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601086
PNG
(CHEMBL5186883 | US11702418, Example 6-16)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(c1)C#N |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601073
PNG
(CHEMBL5193110)
Show SMILES C[C@@H](Nc1n[nH]c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601079
PNG
(CHEMBL5191745 | US11702418, Example 16-3)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cc(N)cc(n1)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601063
PNG
(CHEMBL5202863 | US11702418, Example 1-13)
Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3C)C(F)(F)F)c2cc1OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601089
PNG
(CHEMBL5198132)
Show SMILES C[C@@H](Nc1nnc(C)c2cc(C#N)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601088
PNG
(CHEMBL5182064)
Show SMILES C[C@@H](Nc1nnc(C)c2cc(Cl)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601087
PNG
(CHEMBL5187475)
Show SMILES C[C@@H](Nc1nnc(C)c2cc(F)c(cc12)N1CCOCC1)c1cccc(C#N)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601074
PNG
(CHEMBL5198767)
Show SMILES C[C@@H](Nc1nn(C)c(=O)c2ccc(cc12)N1CCNCC1)c1cccc(c1C)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601078
PNG
(CHEMBL5203468)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccc(n1)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601080
PNG
(CHEMBL5207802 | US11702418, Example 12-41)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cccnc1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601061
PNG
(CHEMBL5169564)
Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc(c3)C(F)(F)F)c2cc1OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601082
PNG
(CHEMBL5190699)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cn(C)nc1C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601070
PNG
(CHEMBL5183207)
Show SMILES C[C@@H](Nc1nnc(c2ccc(cc12)N1CCNCC1)C(F)(F)F)c1cccc(c1C)C(F)(F)F |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601060
PNG
(CHEMBL5200949)
Show SMILES COc1cc2cnnc(N[C@H](C)c3cccc4ccccc34)c2cc1OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601090
PNG
(CHEMBL5185048 | US11702418, Example 19-2)
Show SMILES C[C@@H](Nc1nnc(C)c2cc(c(cc12)N1CCOCC1)C(F)(F)F)c1cccc(C#N)c1C |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601071
PNG
(CHEMBL5199603)
Show SMILES COc1nnc(N[C@H](C)c2cccc(c2C)C(F)(F)F)c2cc(ccc12)N1CCNCC1 |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601059
PNG
(CHEMBL5200875)
Show SMILES COc1cc2cnnc(N[C@H](C)c3ccccc3)c2cc1OC |r|
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601081
PNG
(CHEMBL5195217)
Show SMILES C[C@@H](Nc1nnc(C)c2cnc(cc12)N1CCOCC1)c1cn(C)nc1C |r|
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1.81E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Son of sevenless homolog 1


(Homo sapiens (Human))
BDBM50601062
PNG
(CHEMBL5183547)
Show SMILES COc1cc2cnnc(N[C@H](C)c3ccccc3C)c2cc1OC |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00741
BindingDB Entry DOI: 10.7270/Q2XD15Q0
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579099
PNG
(& 16-2 | US11479551, Example 16-1)
Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579099
PNG
(& 16-2 | US11479551, Example 16-1)
Show SMILES Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(3.12,-6.43,;4.6,-6.03,;5.37,-4.7,;6.88,-5.02,;7.04,-6.55,;5.63,-7.18,;5.24,-8.66,;6.32,-9.75,;7.81,-9.35,;5.93,-11.24,;4.44,-11.64,;4.04,-13.13,;2.55,-13.52,;1.46,-12.44,;1.86,-10.95,;3.35,-10.55,;3.7,-8.95,;2.62,-7.85,;1.55,-6.75,;8.37,-7.32,;8.37,-8.86,;9.71,-9.63,;11.04,-8.86,;11.04,-7.32,;9.71,-6.55,;12.38,-6.55,;12.38,-5.01,;13.71,-4.24,;13.71,-7.32,;13.71,-8.86,;12.38,-9.63,;12.38,-11.17,)|
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Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50585596
PNG
(CHEMBL5076766)
Show SMILES Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)|
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Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579030
PNG
(2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...)
Show SMILES Cn1ncc(c1-c1sc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.27,1.79,;-2.94,2.56,;-2.46,4.02,;-.92,4.02,;-.45,2.56,;-1.69,1.65,;-2.09,.16,;-1.19,-1.08,;-2.09,-2.33,;-1.77,-3.84,;-2.91,-4.87,;-4.38,-4.39,;-4.7,-2.88,;-3.56,-1.85,;-3.56,-.31,;-4.8,.59,;-6.05,1.5,;.89,1.79,;.89,.25,;2.22,-.52,;3.56,.25,;3.56,1.79,;2.22,2.56,;4.89,2.56,;4.89,4.1,;3.56,4.87,;6.22,1.79,;6.22,.25,;4.89,-.52,;4.89,-2.06,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579105
PNG
(US11479551, Example 16-7 | US11479551, Example 16-...)
Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579105
PNG
(US11479551, Example 16-7 | US11479551, Example 16-...)
Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM578996
PNG
(2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...)
Show SMILES Cn1ncc(c1-c1cc(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;.05,-3.39,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579105
PNG
(US11479551, Example 16-7 | US11479551, Example 16-...)
Show SMILES Cn1ncc(c1-c1c(F)c(Cl)cc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.63,2.65,;-3.14,3.05,;-2.37,4.38,;-.86,4.06,;-.7,2.53,;-2.11,1.91,;-2.51,.42,;-1.42,-.67,;.12,-.67,;-1.82,-2.16,;-.73,-3.25,;-3.3,-2.56,;-4.39,-1.47,;-5.88,-1.87,;-6.28,-3.35,;-7.37,-4.44,;-5.88,-4.84,;-4.04,.12,;-5.12,1.22,;-6.19,2.33,;.63,1.76,;.63,.22,;1.97,-.55,;3.3,.22,;3.3,1.76,;1.97,2.53,;4.63,2.53,;4.63,4.07,;5.97,4.84,;5.97,1.76,;5.97,.22,;4.63,-.55,;4.63,-2.09,)|
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Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50585595
PNG
(CHEMBL5076613)
Show SMILES Cc1cc(OC2CC2)c(C#N)c(c1)-c1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O |(25.55,-19.26,;24.41,-18.23,;22.94,-18.7,;21.8,-17.67,;20.33,-18.15,;19.19,-17.12,;17.68,-16.8,;18.71,-15.65,;22.12,-16.17,;20.97,-15.14,;19.84,-14.11,;23.59,-15.69,;24.72,-16.72,;23.9,-14.19,;25.31,-13.56,;25.15,-12.03,;23.64,-11.71,;22.87,-13.04,;21.34,-13.2,;26.64,-14.33,;26.64,-15.87,;27.97,-16.64,;29.31,-15.87,;29.31,-14.33,;27.97,-13.56,;30.64,-13.56,;30.64,-12.03,;31.97,-11.25,;31.97,-14.33,;31.97,-15.87,;30.64,-16.64,;30.64,-18.18,)|
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Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50585597
PNG
(CHEMBL5083379)
Show SMILES Cn1ncc(c1-c1c(Cl)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.53,-17.11,;21.06,-16.95,;21.83,-15.61,;23.34,-15.94,;23.5,-17.46,;22.09,-18.09,;21.77,-19.6,;22.92,-20.64,;24.02,-20.27,;22.59,-22.14,;21.13,-22.62,;19.98,-21.58,;18.52,-22.06,;17.38,-21.03,;15.87,-20.71,;16.9,-19.57,;20.31,-20.08,;19.16,-19.05,;18.02,-18.02,;24.84,-18.23,;24.84,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.84,-17.46,;28.84,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.84,-20.54,;28.84,-22.09,)|
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Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579047
PNG
(2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...)
Show SMILES Cn1ncc(c1-c1ccc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-4.45,1.7,;-3.12,2.47,;-2.64,3.94,;-1.1,3.94,;-.63,2.47,;-1.87,1.57,;-2.27,.08,;-1.18,-1.01,;-1.58,-2.5,;-3.07,-2.9,;-3.47,-4.38,;-4.95,-4.78,;-6.04,-3.69,;-5.64,-2.21,;-4.16,-1.81,;-3.76,-.32,;-4.85,.77,;-5.94,1.86,;.71,1.7,;.71,.16,;2.04,-.61,;3.38,.16,;3.38,1.7,;2.04,2.47,;4.71,2.47,;4.71,4.01,;3.38,4.78,;6.04,1.7,;6.04,.16,;4.71,-.61,;4.71,-2.15,)|
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM178166
PNG
(US10307413, Compound 208 | US10391089, Compound 20...)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
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TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM178166
PNG
(US10307413, Compound 208 | US10391089, Compound 20...)
Show SMILES CC(=O)N1CCC(CC1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1 |r|
Show InChI InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1
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Assay Description
Inhibition of PRMT5 methyltransferase activity in human HCT-116 cells expressing wild type MTAP assessed as inhibition of PRMT5- mediated SDMA modifi...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50585596
PNG
(CHEMBL5076766)
Show SMILES Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)|
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Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50585596
PNG
(CHEMBL5076766)
Show SMILES Cn1ncc(c1-c1c(F)ccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(19.52,-17.1,;21.06,-16.94,;21.83,-15.6,;23.34,-15.93,;23.49,-17.46,;22.09,-18.08,;21.77,-19.59,;22.92,-20.63,;24.02,-20.27,;22.59,-22.14,;21.13,-22.61,;19.98,-21.58,;18.52,-22.05,;17.38,-21.02,;15.86,-20.7,;16.9,-19.56,;20.3,-20.07,;19.16,-19.04,;18.01,-18.01,;24.83,-18.23,;24.83,-19.77,;26.17,-20.54,;27.5,-19.77,;27.5,-18.23,;26.17,-17.46,;28.83,-17.46,;28.83,-15.92,;30.17,-15.15,;30.17,-18.23,;30.17,-19.77,;28.83,-20.54,;28.83,-22.08,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM579098
PNG
(2-(4-(4-(aminomethyl)-1-oxo-1,2- dihydrophthalazin...)
Show SMILES Cn1ncc(c1-c1cccc(OC2CC2)c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O |(-3.91,1.9,;-2.57,2.67,;-2.1,4.14,;-.56,4.14,;-.08,2.67,;-1.33,1.77,;-1.73,.28,;-.64,-.81,;-1.04,-2.3,;-2.52,-2.7,;-3.61,-1.61,;-5.1,-2.01,;-5.5,-3.49,;-6.59,-4.58,;-5.1,-4.98,;-3.3,-.03,;-4.39,1.06,;-5.48,2.15,;1.25,1.9,;1.25,.36,;2.59,-.41,;3.92,.36,;3.92,1.9,;2.59,2.67,;5.25,2.67,;5.25,4.21,;3.92,4.98,;6.59,1.9,;6.59,.36,;5.25,-.41,;5.25,-1.95,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 methyltransferase activity in MTAP knockout human HCT-116 cells assessed as inhibition of PRMT5- mediated SDMA modification level...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM578813
PNG
(4-(aminomethyl)-6-(1,5-dimethyl-1H-pyrazol-4- yl)p...)
Show SMILES Cc1c(cnn1C)-c1ccc2c(c1)c(CN)n[nH]c2=O
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MTA-bound human PRMT5 co-complexed with MEP50 using biotin labelled histone H4 peptide (1 to 15) as substrate assessed as inhibition of...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01900
BindingDB Entry DOI: 10.7270/Q2DB85RR
More data for this
Ligand-Target Pair
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