Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 368.3 BDBM316309

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))	BDBM316309 (3-Fluoro-2-methoxy-5-[6-(2-methoxy-phenyl)-pyrimid...) Show SMILES COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-3-5-12(16)15-9-17(23-10-22-15)24-11-7-13(19(21)25)18(27-2)14(20)8-11/h3-10H,1-2H3,(H2,21,25)(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	<1.00E+4	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))	BDBM316309 (3-Fluoro-2-methoxy-5-[6-(2-methoxy-phenyl)-pyrimid...) Show SMILES COc1ccccc1-c1cc(Nc2cc(F)c(OC)c(c2)C(N)=O)ncn1 Show InChI InChI=1S/C19H17FN4O3/c1-26-16-6-4-3-5-12(16)15-9-17(23-10-22-15)24-11-7-13(19(21)25)18(27-2)14(20)8-11/h3-10H,1-2H3,(H2,21,25)(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	<1.00E+4	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