BDBM50132181 (2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine::CHEMBL317636

SMILES: CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12

InChI Key: InChIKey=ORNOLVOJUXTWQT-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 = 50132181   

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))	BDBM50132181 ((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12 Show InChI InChI=1S/C15H16BrN5/c1-10(2)21-9-20-13-14(18-8-19-15(13)21)17-7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(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	49	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))	BDBM50132181 ((2-Bromo-benzyl)-(9-isopropyl-9H-purin-6-yl)-amine...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3Br)ncnc12 Show InChI InChI=1S/C15H16BrN5/c1-10(2)21-9-20-13-14(18-8-19-15(13)21)17-7-11-5-3-4-6-12(11)16/h3-6,8-10H,7H2,1-2H3,(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	23	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