BDBM50396028 CHEMBL1222848

SMILES: CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O

InChI Key: InChIKey=VTKYLQGBLDNDHY-CCYLHAPASA-N

Data: 4 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 4 hits for monomerid = 50396028   

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 G9a (G9a) (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of G9a (unknown origin) using SAM/biotinylated H3 as substrate preincubated for 1 hr followed by substrate addition measured after 2 hrs b...				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/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
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by modified ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Inhibition of protein lysine methyltransferase G9a (unknown origin) by ELISA assay				Bioorg Med Chem Lett 23: 733-6 (2013) Article DOI: 10.1016/j.bmcl.2012.11.087 BindingDB Entry DOI: 10.7270/Q22V2HFN
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50396028 (CHEMBL1222848) Show SMILES CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r| Show InChI InChI=1S/C30H32N6O6/c1-33-21(13-37)25(41)35-19(23(33)39)11-29(15-7-3-5-9-17(15)31-27(29)35)30-12-20-24(40)34(2)22(14-38)26(42)36(20)28(30)32-18-10-6-4-8-16(18)30/h3-10,19-22,27-28,31-32,37-38H,11-14H2,1-2H3/t19-,20-,21-,22-,27-,28-,29+,30+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GST-tagged G9a after 1 hr by radioactive filter-binding assay				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