Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 397.5 BDBM36742

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))	BDBM36742 (6-(4-methoxybenzylamino) core C2-substituent, 12) Show SMILES COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C21H31N7O/c1-15(2)28-14-23-18-19(22-13-16-5-7-17(29-4)8-6-16)24-21(25-20(18)28)27-11-9-26(3)10-12-27/h5-8,15,23H,9-14H2,1-4H3,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	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