Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.4 BDBM316207

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316207 (N-(3-((dimethylamino)methyl)-4-methoxyphenyl)-6-(2...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C Show InChI InChI=1S/C21H24N4O2/c1-25(2)13-15-11-16(9-10-19(15)26-3)24-21-12-18(22-14-23-21)17-7-5-6-8-20(17)27-4/h5-12,14H,13H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				Bioorg Med Chem Lett 18: 1022-6 (2008) BindingDB Entry DOI: 10.7270/Q2RB76X4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM316207 (N-(3-((dimethylamino)methyl)-4-methoxyphenyl)-6-(2...) Show SMILES COc1ccc(Nc2cc(ncn2)-c2ccccc2OC)cc1CN(C)C Show InChI InChI=1S/C21H24N4O2/c1-25(2)13-15-11-16(9-10-19(15)26-3)24-21-12-18(22-14-23-21)17-7-5-6-8-20(17)27-4/h5-12,14H,13H2,1-4H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
VIROSTATICS SRL US Patent					Assay Description The activity of the compounds described in the present invention can be determined by measuring the phosphorylation of a fluorescently-labeled peptid...				US Patent US9617225 (2017) BindingDB Entry DOI: 10.7270/Q29W0HK6
					More data for this Ligand-Target Pair