BDBM50132186 5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-methoxy-phenol::CHEMBL99623

SMILES: COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O

InChI Key: InChIKey=NCZBEAPMQUJCCK-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 = 50132186   

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 B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50132186 (5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...) Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q
					More data for this Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 (Homo sapiens (Human))	BDBM50132186 (5-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-2-meth...) Show SMILES COc1ccc(CNc2ncnc3n(cnc23)C(C)C)cc1O Show InChI InChI=1S/C16H19N5O2/c1-10(2)21-9-20-14-15(18-8-19-16(14)21)17-7-11-4-5-13(23-3)12(22)6-11/h4-6,8-10,22H,7H2,1-3H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibitory concentration against Cyclin-dependent kinase 1-cyclin B				Bioorg Med Chem Lett 13: 2989-92 (2003) BindingDB Entry DOI: 10.7270/Q29Z948Q
					More data for this Ligand-Target Pair