Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 393.4 BDBM50352829

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50352829 (CHEMBL1823635) Show SMILES COc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1 Show InChI InChI=1S/C23H24FN3O2/c1-29-21-5-4-17(13-20(21)24)22(15-6-9-25-10-7-15)27-23(28)18-2-3-19-14-26-11-8-16(19)12-18/h2-5,8,11-15,22,25H,6-7,9-10H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of AKT1				Bioorg Med Chem Lett 21: 5191-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.056 BindingDB Entry DOI: 10.7270/Q21G0MNQ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50352829 (CHEMBL1823635) Show SMILES COc1ccc(cc1F)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1 Show InChI InChI=1S/C23H24FN3O2/c1-29-21-5-4-17(13-20(21)24)22(15-6-9-25-10-7-15)27-23(28)18-2-3-19-14-26-11-8-16(19)12-18/h2-5,8,11-15,22,25H,6-7,9-10H2,1H3,(H,27,28)	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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 21: 5191-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.056 BindingDB Entry DOI: 10.7270/Q21G0MNQ
					More data for this Ligand-Target Pair