BDBM50427772 CHEMBL2325183

SMILES: O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1

InChI Key: InChIKey=PKHSKYFMULMNOC-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50427772   

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
Protein arginine methyltransferase 3 (PRMT3) (Homo sapiens (Human))	BDBM50427772 (CHEMBL2325183) Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1 Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)	PDB B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-S-adenos...				J Med Chem 56: 2110-24 (2013) Article DOI: 10.1021/jm3018332 BindingDB Entry DOI: 10.7270/Q2W95BHJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50427772 (CHEMBL2325183) Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1 Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-aden...				J Med Chem 56: 2110-24 (2013) Article DOI: 10.1021/jm3018332 BindingDB Entry DOI: 10.7270/Q2W95BHJ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50427772 (CHEMBL2325183) Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1 Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-aden...				J Med Chem 56: 2110-24 (2013) Article DOI: 10.1021/jm3018332 BindingDB Entry DOI: 10.7270/Q2W95BHJ
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H2 (Suv39H2) (Homo sapiens (Human))	BDBM50427772 (CHEMBL2325183) Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1 Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of SUV39H2 (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-...				J Med Chem 56: 2110-24 (2013) Article DOI: 10.1021/jm3018332 BindingDB Entry DOI: 10.7270/Q2W95BHJ
					More data for this Ligand-Target Pair