BDBM6331 2-Aminoquinazoline 9::7-methoxy-N-[4-(piperidin-1-yl)phenyl]-8-(propan-2-yl)quinazolin-2-amine

SMILES: COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C

InChI Key: InChIKey=ZSJPNTIUGSZAOV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 6331   

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 (CDK1) (Homo sapiens (Human))	BDBM6331 (2-Aminoquinazoline 9 | 7-methoxy-N-[4-(piperidin-1...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C Show InChI InChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 (CDK4) (Homo sapiens (Human))	BDBM6331 (2-Aminoquinazoline 9 | 7-methoxy-N-[4-(piperidin-1...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C Show InChI InChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	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
CDK2/CycE (Homo sapiens (Human))	BDBM6331 (2-Aminoquinazoline 9 | 7-methoxy-N-[4-(piperidin-1...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C Show InChI InChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	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-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM6331 (2-Aminoquinazoline 9 | 7-methoxy-N-[4-(piperidin-1...) Show SMILES COc1ccc2cnc(Nc3ccc(cc3)N3CCCCC3)nc2c1C(C)C Show InChI InChI=1S/C23H28N4O/c1-16(2)21-20(28-3)12-7-17-15-24-23(26-22(17)21)25-18-8-10-19(11-9-18)27-13-5-4-6-14-27/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	410	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