Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 414.3 BDBM50352837

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))	BDBM50352837 (CHEMBL1823643) Show SMILES Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1 Show InChI InChI=1S/C22H21Cl2N3O/c23-19-4-3-16(12-20(19)24)21(14-5-8-25-9-6-14)27-22(28)17-1-2-18-13-26-10-7-15(18)11-17/h1-4,7,10-14,21,25H,5-6,8-9H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50352837 (CHEMBL1823643) Show SMILES Clc1ccc(cc1Cl)C(NC(=O)c1ccc2cnccc2c1)C1CCNCC1 Show InChI InChI=1S/C22H21Cl2N3O/c23-19-4-3-16(12-20(19)24)21(14-5-8-25-9-6-14)27-22(28)17-1-2-18-13-26-10-7-15(18)11-17/h1-4,7,10-14,21,25H,5-6,8-9H2,(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