BDBM50460742 CHEMBL4228634

SMILES: COc1ccccc1-c1nnc2sc(\C=C\c3ccco3)nn12

InChI Key: InChIKey=SDVMNLXLFVWQDH-CMDGGOBGSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 50460742   

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
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50460742 (CHEMBL4228634) Show SMILES COc1ccccc1-c1nnc2sc(\C=C\c3ccco3)nn12 Show InChI InChI=1S/C16H12N4O2S/c1-21-13-7-3-2-6-12(13)15-17-18-16-20(15)19-14(23-16)9-8-11-5-4-10-22-11/h2-10H,1H3/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Binding affinity to recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) by surface plasmon resonance...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human))	BDBM50460742 (CHEMBL4228634) Show SMILES COc1ccccc1-c1nnc2sc(\C=C\c3ccco3)nn12 Show InChI InChI=1S/C16H12N4O2S/c1-21-13-7-3-2-6-12(13)15-17-18-16-20(15)19-14(23-16)9-8-11-5-4-10-22-11/h2-10H,1H3/b9-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate...				Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM
					More data for this Ligand-Target Pair