BDBM50457723 CHEMBL4212905

SMILES: CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1

InChI Key: InChIKey=PQJVPCANHLGIOZ-UHFFFAOYSA-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 = 50457723   

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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457723 (CHEMBL4212905) Show SMILES CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C30H42N4O3/c1-4-23-8-9-28(37-23)27-19-25(31-21-22-10-15-33(2)16-11-22)24-18-29(35-3)30(20-26(24)32-27)36-17-7-14-34-12-5-6-13-34/h8-9,18-20,22H,4-7,10-17,21H2,1-3H3,(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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50457723 (CHEMBL4212905) Show SMILES CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C30H42N4O3/c1-4-23-8-9-28(37-23)27-19-25(31-21-22-10-15-33(2)16-11-22)24-18-29(35-3)30(20-26(24)32-27)36-17-7-14-34-12-5-6-13-34/h8-9,18-20,22H,4-7,10-17,21H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	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))	BDBM50457723 (CHEMBL4212905) Show SMILES CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C30H42N4O3/c1-4-23-8-9-28(37-23)27-19-25(31-21-22-10-15-33(2)16-11-22)24-18-29(35-3)30(20-26(24)32-27)36-17-7-14-34-12-5-6-13-34/h8-9,18-20,22H,4-7,10-17,21H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	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
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50457723 (CHEMBL4212905) Show SMILES CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C30H42N4O3/c1-4-23-8-9-28(37-23)27-19-25(31-21-22-10-15-33(2)16-11-22)24-18-29(35-3)30(20-26(24)32-27)36-17-7-14-34-12-5-6-13-34/h8-9,18-20,22H,4-7,10-17,21H2,1-3H3,(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin)				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