BDBM50113736 2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-propane-1,3-diol::CHEMBL75795

SMILES: COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=IMVMADQSQLSXHO-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113736   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50113736 (2-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C19H26N6O3/c1-12(2)25-11-21-16-17(20-8-13-4-6-15(28-3)7-5-13)23-19(24-18(16)25)22-14(9-26)10-27/h4-7,11-12,14,26-27H,8-10H2,1-3H3,(H2,20,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis Pharma Deutschland GmbH Curated by ChEMBL					Assay Description Binding affinity to cyclin-dependent kinase 1 (CDK1)				J Med Chem 45: 2366-78 (2002) BindingDB Entry DOI: 10.7270/Q25B01SB
					More data for this Ligand-Target Pair