BDBM50457738 CHEMBL4205373

SMILES: COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1

InChI Key: InChIKey=UNRCZHRRDXQTEH-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50457738   

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))	BDBM50457738 (CHEMBL4205373) Show SMILES COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-20-7-10-28(37-20)27-18-25(31-21-15-22-8-9-23(16-21)33(22)2)24-17-29(35-3)30(19-26(24)32-27)36-14-6-13-34-11-4-5-12-34/h7,10,17-19,21-23H,4-6,8-9,11-16H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457738 (CHEMBL4205373) Show SMILES COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-20-7-10-28(37-20)27-18-25(31-21-15-22-8-9-23(16-21)33(22)2)24-17-29(35-3)30(19-26(24)32-27)36-14-6-13-34-11-4-5-12-34/h7,10,17-19,21-23H,4-6,8-9,11-16H2,1-3H3,(H,31,32)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of Tracer Red binding to human ERG in membranes after 2 hrs by fluorescence polarization 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))	BDBM50457738 (CHEMBL4205373) Show SMILES COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-20-7-10-28(37-20)27-18-25(31-21-15-22-8-9-23(16-21)33(22)2)24-17-29(35-3)30(19-26(24)32-27)36-14-6-13-34-11-4-5-12-34/h7,10,17-19,21-23H,4-6,8-9,11-16H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	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