BDBM50093432 (R){1-[6-(3,5-Dimethoxy-benzylamino)-9-isopropyl-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol::CHEMBL3085235

SMILES: COc1cc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc(OC)c1

InChI Key: InChIKey=LOZDSCZKJJCSPQ-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 = 50093432   

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))	BDBM50093432 ((R){1-[6-(3,5-Dimethoxy-benzylamino)-9-isopropyl-9...) Show SMILES COc1cc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc(OC)c1 |r| Show InChI InChI=1S/C22H30N6O3/c1-14(2)28-13-24-19-20(23-11-15-8-17(30-3)10-18(9-15)31-4)25-22(26-21(19)28)27-7-5-6-16(27)12-29/h8-10,13-14,16,29H,5-7,11-12H2,1-4H3,(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institut Curie Curated by ChEMBL					Assay Description Inhibition of cyclin-dependent kinase 1				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair