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BDBM50238541 CHEMBL4092336

SMILES: COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1

InChI Key: InChIKey=GZBULYAKSCNNPA-UHFFFAOYSA-N

Data: 14 IC50  1 Kd

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 15 hits for monomerid = 50238541   
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 methyltransferase 7 (PRMT7)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged full length PRMT7 expressed in baculovirus using of histone H4 as substrate preincubated for 15...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a 330n/an/an/an/an/an/a



University of Jinan

Curated by ChEMBL


Assay Description
Inhibition of PRMT5 (unknown origin)


Bioorg Med Chem Lett 28: 3693-3699 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.026
More data for this
Ligand-Target Pair
Histone-arginine methyltransferase CARM1


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human kidney renin


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 6


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged PRMT6 (2 to 375 residues) expressed in Escherichia coli using of histone H3 as substrate preinc...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 8


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT8 (61 to 394 residues) expressed in baculovirus infected Sf9 cell expression system using ...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Nuclear SET domain-containing protein 1 (NSD1)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of NSD1 (unknown origin) preincubated for 15 mins followed by [3H]-SAM addition measured after 4 hrs by liquid scintillation counting


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of SET7/9 (unknown origin) after 60 mins by Alpha LISA assay


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of BRD4 (unknown origin) using SGRG-K(Ac)-GG-K(Ac)-GLG-K-(Ac)-GGA-K(Ac)-RHRKVGG-K(Biotin) peptide as substrate preincubated for 10 mins fo...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Histone acetyltransferase KAT2A/KAT2B


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GCN5 (unknown origin) using H3 as substrate and Ac-CoA as cofactor preincubated for 10 mins followed by substrate/cofactor addition mea...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/an/a 987n/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Binding affinity to PRMT5/MEP50 (unknown origin) by surface plasmon resonance assay


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
PRMT5/MEP50 Enzyme


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a 330n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged PRMT5 (2 to end residues) /human N-terminal His-tagged MEP50 (2 to end residues) expressed in ...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged PRMT3 (2 to end residues) expressed in Escherichia coli using histone H4 as substrate preincubated for 15 m...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 1


(Homo sapiens)
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged PRMT1 (2 to end residues) expressed in baculovirus infected Sf9 cell expression system using hi...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific


(Homo sapiens (Human))
BDBM50238541
PNG
(CHEMBL4092336)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of DOT1L (unknown origin) using biotinylated H3K79me2 as substrate preincubated for 15 mins followed by substrate/ SAM addition measured a...


J Med Chem 60: 6289-6304 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00587
BindingDB Entry DOI: 10.7270/Q2D220XW
More data for this
Ligand-Target Pair