BDBM6338 2-Aminoquinazoline 17::N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
SMILES: COc1ccc2cnc(Nc3ccc(cc3)N3CCC(N)C3)nc2c1C1CCCC1
InChI Key: InChIKey=WTNLHNBOLGKCHQ-UHFFFAOYSA-N
Data: 4 IC50
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)) | BDBM6338 (2-Aminoquinazoline 17 | N-[4-(3-aminopyrrolidin-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 398 | 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)) | BDBM6338 (2-Aminoquinazoline 17 | N-[4-(3-aminopyrrolidin-1-...) | 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 | 115 | 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)) | BDBM6338 (2-Aminoquinazoline 17 | N-[4-(3-aminopyrrolidin-1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 775 | 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)) | BDBM6338 (2-Aminoquinazoline 17 | N-[4-(3-aminopyrrolidin-1-...) | 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 | 203 | 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 |