BDBM6351 2-Aminoquinazoline 30::8-cyclopentyl-5-methyl-2-{[4-(piperazin-1-yl)phenyl]amino}quinazolin-7-ol

SMILES: Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12

InChI Key: InChIKey=LNKPBQMYLJEWNJ-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 = 6351   

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))	BDBM6351 (2-Aminoquinazoline 30 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)	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	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 4 (CDK4) (Homo sapiens (Human))	BDBM6351 (2-Aminoquinazoline 30 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)	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	20	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))	BDBM6351 (2-Aminoquinazoline 30 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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	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 i...				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))	BDBM6351 (2-Aminoquinazoline 30 | 8-cyclopentyl-5-methyl-2-{...) Show SMILES Cc1cc(O)c(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12 Show InChI InChI=1S/C24H29N5O/c1-16-14-21(30)22(17-4-2-3-5-17)23-20(16)15-26-24(28-23)27-18-6-8-19(9-7-18)29-12-10-25-11-13-29/h6-9,14-15,17,25,30H,2-5,10-13H2,1H3,(H,26,27,28)	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	>5.00E+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