BDBM50132171 4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol::CHEMBL317131

SMILES: CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12

InChI Key: InChIKey=RDRSPHXLWMGMEU-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 = 50132171   

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))	BDBM50132171 (4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...) Show SMILES CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12 Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>167	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))	BDBM50132171 (4-[(9-Isopropyl-9H-purin-6-ylamino)-methyl]-phenol...) Show SMILES CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc12 Show InChI InChI=1S/C15H17N5O/c1-10(2)20-9-19-13-14(17-8-18-15(13)20)16-7-11-3-5-12(21)6-4-11/h3-6,8-10,21H,7H2,1-2H3,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	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