BDBM50457754 CHEMBL4216593

SMILES: COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1

InChI Key: InChIKey=GZZZBNXTINNFPK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50457754   

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))	BDBM50457754 (CHEMBL4216593) Show SMILES COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C33H44N4O3/c1-21(2)37-10-8-32(9-11-37)15-23(16-32)34-26-13-28(29-7-6-22(3)39-29)35-27-14-31(30(38-5)12-25(26)27)40-24-17-33(18-24)19-36(4)20-33/h6-7,12-14,21,23-24H,8-11,15-20H2,1-5H3,(H,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50457754 (CHEMBL4216593) Show SMILES COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C33H44N4O3/c1-21(2)37-10-8-32(9-11-37)15-23(16-32)34-26-13-28(29-7-6-22(3)39-29)35-27-14-31(30(38-5)12-25(26)27)40-24-17-33(18-24)19-36(4)20-33/h6-7,12-14,21,23-24H,8-11,15-20H2,1-5H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair