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SMILES: COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1

InChI Key: InChIKey=MSFZKJUNFSIHIJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 6340   

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/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM6340 (2-Aminoquinazoline 19 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	7.4	25
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 [L188C] (Homo sapiens (Human))	BDBM6340 (2-Aminoquinazoline 19 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 25 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM6340 (2-Aminoquinazoline 19 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM6340 (2-Aminoquinazoline 19 | 8-cyclopentyl-7-methoxy-N-...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C1CCCC1 Show InChI InChI=1S/C24H28N4O2/c1-29-21-11-6-18-16-25-24(27-23(18)22(21)17-4-2-3-5-17)26-19-7-9-20(10-8-19)28-12-14-30-15-13-28/h6-11,16-17H,2-5,12-15H2,1H3,(H,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	384	n/a	n/a	n/a	n/a	n/a	n/a
NAEJA Pharmaceutical Inc.					Assay Description The enzyme was assayed with substrate GST- retinoblastoma in the presence of 12 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which in...				Bioorg Med Chem Lett 15: 3881-5 (2005) Article DOI: 10.1016/j.bmcl.2005.05.131 BindingDB Entry DOI: 10.7270/Q2WW7FVW
					More data for this Ligand-Target Pair