BDBM50113720 CHEMBL306183::{1-[9-Isopropyl-6-(4-methoxy-benzylamino)-9H-purin-2-ylamino]-cyclopentyl}-methanol

SMILES: COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3n(cnc23)C(C)C)cc1

InChI Key: InChIKey=HSPYKVSQTSUETE-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 = 50113720   

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))	BDBM50113720 (CHEMBL306183 | {1-[9-Isopropyl-6-(4-methoxy-benzyl...) Show SMILES COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3n(cnc23)C(C)C)cc1 Show InChI InChI=1S/C22H30N6O2/c1-15(2)28-14-24-18-19(23-12-16-6-8-17(30-3)9-7-16)25-21(26-20(18)28)27-22(13-29)10-4-5-11-22/h6-9,14-15,29H,4-5,10-13H2,1-3H3,(H2,23,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+5	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