Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 272.3 BDBM50348248

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-dependent kinase 2 (Homo sapiens (Human))	BDBM50348248 (CHEMBL1800218) Show SMILES Nc1nccc(n1)-c1cc(ccc1O)N1CCOCC1 Show InChI InChI=1S/C14H16N4O2/c15-14-16-4-3-12(17-14)11-9-10(1-2-13(11)19)18-5-7-20-8-6-18/h1-4,9,19H,5-8H2,(H2,15,16,17)	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	790	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK2 in presence of 100 uM ATP				Bioorg Med Chem Lett 21: 4203-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.081 BindingDB Entry DOI: 10.7270/Q2CZ37HF
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50348248 (CHEMBL1800218) Show SMILES Nc1nccc(n1)-c1cc(ccc1O)N1CCOCC1 Show InChI InChI=1S/C14H16N4O2/c15-14-16-4-3-12(17-14)11-9-10(1-2-13(11)19)18-5-7-20-8-6-18/h1-4,9,19H,5-8H2,(H2,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of CDK1 in presence of 100 uM ATP				Bioorg Med Chem Lett 21: 4203-5 (2011) Article DOI: 10.1016/j.bmcl.2011.05.081 BindingDB Entry DOI: 10.7270/Q2CZ37HF
					More data for this Ligand-Target Pair