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)	Ligand	Target/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	pH	Temp °C
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50508569 (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 UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/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 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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 (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 AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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 (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 Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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