BDBM50544058 CHEMBL4640631

SMILES: CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O

InChI Key: InChIKey=JKCSODVERGVDLT-UHFFFAOYSA-N

Data: 2 IC50  6 Kd

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 8 hits for monomerid = 50544058   

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 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (22 AT bp) as substrate preincubated for...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (17 AT bp) as substrate p...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (22 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (17 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (22 AT bp) as substrate p...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (22 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (17 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair