BDBM50075185 CHEMBL3414632

SMILES: CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O

InChI Key: InChIKey=OLEDPXIGUWUDBM-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 = 50075185   

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
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM50075185 (CHEMBL3414632) Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O Show InChI InChI=1S/C26H19NO11/c1-9(28)27-5-4-10-2-3-15(29)11(6-10)12-7-13-18(24(34)23(12)33)22(32)14-8-16(30)19(25(35)36)20(26(37)38)17(14)21(13)31/h2-3,6-8,29-30,33-34H,4-5H2,1H3,(H,27,28)(H,35,36)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biot...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair
DNMT3A2/3L complex (Homo sapiens (Human))	BDBM50075185 (CHEMBL3414632) Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1cc2C(=O)c3c(cc(O)c(C(O)=O)c3C(O)=O)C(=O)c2c(O)c1O Show InChI InChI=1S/C26H19NO11/c1-9(28)27-5-4-10-2-3-15(29)11(6-10)12-7-13-18(24(34)23(12)33)22(32)14-8-16(30)19(25(35)36)20(26(37)38)17(14)21(13)31/h2-3,6-8,29-30,33-34H,4-5H2,1H3,(H,27,28)(H,35,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT3a expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair