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BDBM50532859 CHEMBL4436627

SMILES: Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1

InChI Key: InChIKey=OQGSBQJSJRLNQH-RSAXXLAASA-N

Data: 14 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50532859   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells using [3H]-SAM and biotinylated histone peptides by sc...


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT8 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens)
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
PDB

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n/an/a 50n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full-length Halo-tagged human CARM1 (1 to 608 residues) expressed in 293-F cells using [3H]-SAM and biotinylated histone peptides by sc...


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT6 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT6 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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UniChem
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT8 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens)
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
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UniProtKB/SwissProt

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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 7 (PRMT7)


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT7 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 7 (PRMT7)


(Homo sapiens (Human))
BDBM50532859
PNG
(CHEMBL4436627)
Show SMILES Cl.C[C@H](N)C(=O)NCc1ccc(Oc2cc(C)cc(C)c2)c(C)c1 |r|
Show InChI InChI=1S/C19H24N2O2.ClH/c1-12-7-13(2)9-17(8-12)23-18-6-5-16(10-14(18)3)11-21-19(22)15(4)20;/h5-10,15H,11,20H2,1-4H3,(H,21,22);1H/t15-;/m0./s1
PDB

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UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of PRMT7 (unknown origin)


J Med Chem 59: 6838-47 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00668
More data for this
Ligand-Target Pair