BDBM50113723 1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-yl]-piperidin-4-ol::CHEMBL75924

SMILES: COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1

InChI Key: InChIKey=XHUCQVAJEYPNLA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50113723   

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 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2 (Homo sapiens (Human))	BDBM50113723 (1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-12-15-4-6-17(29-3)7-5-15)24-21(25-20(18)27)26-10-8-16(28)9-11-26/h4-7,13-14,16,28H,8-12H2,1-3H3,(H,22,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E				Bioorg Med Chem Lett 7: 2697-2702 (1997) Article DOI: 10.1016/S0960-894X(97)10076-2 BindingDB Entry DOI: 10.7270/Q2FJ2H8Q
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50113723 (1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-...) Show SMILES COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1 Show InChI InChI=1S/C21H28N6O2/c1-14(2)27-13-23-18-19(22-12-15-4-6-17(29-3)7-5-15)24-21(25-20(18)27)26-10-8-16(28)9-11-26/h4-7,13-14,16,28H,8-12H2,1-3H3,(H,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.50E+6	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