BDBM50093431 (R){1-[9-Isopropyl-6-(4-trifluoromethyl-benzylamino)-9H-purin-2-yl]-pyrrolidin-2-yl}-methanol::CHEMBL3085233

SMILES: CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO

InChI Key: InChIKey=HTCAEWAQOMTHDW-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 = 50093431   

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))	BDBM50093431 ((R){1-[9-Isopropyl-6-(4-trifluoromethyl-benzylamin...) Show SMILES CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C21H25F3N6O/c1-13(2)30-12-26-17-18(25-10-14-5-7-15(8-6-14)21(22,23)24)27-20(28-19(17)30)29-9-3-4-16(29)11-31/h5-8,12-13,16,31H,3-4,9-11H2,1-2H3,(H,25,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	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