Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 373.4 BDBM50293151

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

Found 3 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-dependent kinase 4 (Homo sapiens (Human))	BDBM50293151 (CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...) Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CDK4 by radioactive glutathione plate-binding assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50293151 (CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...) Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human CDK2 by HTRF assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50293151 (CHEMBL513354 | N-(3-((diethylamino)methyl)phenyl)-...) Show SMILES CCN(CC)Cc1cccc(Nc2nccc(n2)-c2cnn3ncccc23)c1 Show InChI InChI=1S/C21H23N7/c1-3-27(4-2)15-16-7-5-8-17(13-16)25-21-22-12-10-19(26-21)18-14-24-28-20(18)9-6-11-23-28/h5-14H,3-4,15H2,1-2H3,(H,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK3beta by scintillation proximity assay				Bioorg Med Chem Lett 18: 5758-62 (2009) Article DOI: 10.1016/j.bmcl.2008.09.069 BindingDB Entry DOI: 10.7270/Q2J67GZN
					More data for this Ligand-Target Pair