BDBM50448484 CHEMBL3126646

SMILES: Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1

InChI Key: InChIKey=GRGNBXUBKBUEDX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50448484   

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
DNMT3A2/3L complex (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human GLP (734 to 1235) using histone as substrate preincubated for 5 mins followed by substrate addition measured after 5 mins by liqu...				J Med Chem 57: 701-13 (2014) Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet				J Med Chem 57: 701-13 (2014) Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3-like (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human DNMT3A2/3L using unmethylated DNA as substrate in presence of [methyl-3H]-AdoMet				J Med Chem 57: 701-13 (2014) Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of human N-terminal 600 residues-deleted DNMT1 using hemimethylated (GAC)12 as substrate preincubated for 5 mins followed by substrate add...				J Med Chem 57: 701-13 (2014) Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 (Rattus norvegicus)	BDBM50448484 (CHEMBL3126646) Show SMILES Cc1cc(Nc2cccc(NC(=O)c3cccc(Nc4ccnc5ccccc45)c3)c2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-14-25(34-27(28)30-17)32-20-8-5-9-21(16-20)33-26(35)18-6-4-7-19(15-18)31-24-12-13-29-23-11-3-2-10-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Inhibition of rat recombinant PRMT1 using histone as substrate preincubated for 5 mins followed by substrate addition measured after 6.5 mins by liqu...				J Med Chem 57: 701-13 (2014) Article DOI: 10.1021/jm4012627 BindingDB Entry DOI: 10.7270/Q2028T1Q
					More data for this Ligand-Target Pair