BDBM50396016 CHEMBL2169918

SMILES: N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O

InChI Key: InChIKey=GLCOSOCNOCATCH-GMDRLUGNSA-N

Data: 5 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 5 hits for monomerid = 50396016   

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-arginine methyltransferase CARM1 (Homo sapiens (Human))	BDBM50396016 (CHEMBL2169918) Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of human CARM1 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 mins before substrate addition mea...				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1 (Homo sapiens (Human))	BDBM50396016 (CHEMBL2169918) Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of SUV39H1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50396016 (CHEMBL2169918) Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GST-tagged human DOT1L amino acid 1 to 472 expressed in Escherichia coli BL21 (DE3) using [3H]-SAM as substrate preincubated for 10 min...				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human))	BDBM50396016 (CHEMBL2169918) Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1	PDB B.MOAD GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of PRMT1 using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396016 (CHEMBL2169918) Show SMILES N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C24H32IN7O5/c25-8-10-31(9-4-7-16(26)24(35)36)12-17-19(33)20(34)23(37-17)32-14-30-18-21(28-13-29-22(18)32)27-11-15-5-2-1-3-6-15/h1-3,5-6,13-14,16-17,19-20,23,33-34H,4,7-12,26H2,(H,35,36)(H,27,28,29)/t16-,17+,19+,20+,23+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	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
TBA Curated by ChEMBL					Assay Description Inhibition of G9a using [3H]-SAM as substrate preincubated for 10 mins before substrate addition measured after 30 mins by scintillation counter				Eur J Med Chem 56: 179-194 (2012) Article DOI: 10.1016/j.ejmech.2012.08.010 BindingDB Entry DOI: 10.7270/Q2TQ62NX
					More data for this Ligand-Target Pair