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BDBM50508569 CHEMBL4557353

SMILES: CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=PYEVWZHTBYTQQI-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50508569   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone-lysine N-methyltransferase EHMT1/EHMT2


(Homo sapiens (Human))
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
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UniProtKB/TrEMBL

GoogleScholar
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PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphalis...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens)
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphal...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
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n/an/an/a 1.58E+4n/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant full-length human N-terminal His6-tagged WDR5 (1 to 334 residues) expressed in Escherichia coli BL21 (DE3) by surface...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
WD repeat-containing protein 5 (WDR5)


(Homo sapiens (Human))
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Displacement of Ac-ARTEVHLRKS-(Ahx)-(Ahx)-K(5-FAM)-NH2 from recombinant full-length human N-terminal His6-tagged WDR5 (1 to 334 residues) expressed i...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SETD1B


(Homo sapiens)
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of SETD1B (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alpha...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase MLL2


(Homo sapiens (Human))
BDBM50508569
PNG
(CHEMBL4557353)
Show SMILES CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C18H21NO5S/c1-3-4-11-24-17-10-9-16(12-13(17)2)25(22,23)19-15-7-5-14(6-8-15)18(20)21/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,21)
PDB

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KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Zhejiang Sci-Tech University

Curated by ChEMBL


Assay Description
Inhibition of MLL2 (unknown origin) using SAM as substrate preincubated for 15 mins followed by substrate addition and measured after 1 hr by Alphali...


Bioorg Med Chem Lett 29: 638-645 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.035
More data for this
Ligand-Target Pair