BDBM5525 2-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}ethan-1-ol::6-Cyclohexylmethoxy-2-(2-hydroxyethylamino)purine::O6-Cyclohexylmethylguanine deriv. 10

SMILES: OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1

InChI Key: InChIKey=IKXYTZZLTZPRJL-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 5525   

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 (CDK2) (Homo sapiens (Human))	BDBM5525 (2-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}etha...) Show SMILES OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C14H21N5O2/c20-7-6-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-4-2-1-3-5-10/h9-10,20H,1-8H2,(H2,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 47: 3710-22 (2004) Article DOI: 10.1021/jm0311442 BindingDB Entry DOI: 10.7270/Q24J0C9Z
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM5525 (2-{[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino}etha...) Show SMILES OCCNc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C14H21N5O2/c20-7-6-15-14-18-12-11(16-9-17-12)13(19-14)21-8-10-4-2-1-3-5-10/h9-10,20H,1-8H2,(H2,15,16,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 47: 3710-22 (2004) Article DOI: 10.1021/jm0311442 BindingDB Entry DOI: 10.7270/Q24J0C9Z
					More data for this Ligand-Target Pair