BDBM7562 1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-3-methylpentan-3-ol::C2-substituted purine deriv. 3c::CHEMBL338924

SMILES: CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1

InChI Key: InChIKey=PESFADVCQDQRNO-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 = 7562   

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))	BDBM7562 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H29N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,11-13H2,1-4H3,(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	1.30E+3	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 (CDK1)				J Med Chem 43: 4098-108 (2000) BindingDB Entry DOI: 10.7270/Q24B321Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish))	BDBM7562 (1-[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]-...) Show SMILES CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C21H29N5O/c1-5-21(4,27)12-11-17-24-19(22-13-16-9-7-6-8-10-16)18-20(25-17)26(14-23-18)15(2)3/h6-10,14-15,27H,5,11-13H2,1-4H3,(H,22,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.2	30
Institut Curie					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...				Bioorg Med Chem Lett 8: 793-8 (1998) Article DOI: 10.1016/s0960-894x(98)00097-3 BindingDB Entry DOI: 10.7270/Q2TQ5ZRN
					More data for this Ligand-Target Pair