Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 396.5 BDBM36745

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

Found 1 hit 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 1 (Homo sapiens (Human))	BDBM36745 (6-(4-methoxybenzylamino) core C2-substituent, 38) Show SMILES COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCCC2)cc1 Show InChI InChI=1S/C22H32N6O/c1-16(2)28-15-24-19-20(23-14-17-8-10-18(29-3)11-9-17)25-22(26-21(19)28)27-12-6-4-5-7-13-27/h8-11,16,24H,4-7,12-15H2,1-3H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California, Berkeley					Assay Description Inhibition assay using CDK1/cyclin B.				Chem Biol 6: 361-75 (1999) Article DOI: 10.1016/S1074-5521(99)80048-9 BindingDB Entry DOI: 10.7270/Q2HM56TM
					More data for this Ligand-Target Pair