BDBM6332 2-Aminoquinazoline 10::7-methoxy-N-[4-(morpholin-4-yl)phenyl]-8-(propan-2-yl)quinazolin-2-amine
SMILES: COc1ccc2cnc(Nc3ccc(cc3)N3CCOCC3)nc2c1C(C)C
InChI Key: InChIKey=RKYDSXIHJWMQGP-UHFFFAOYSA-N
Data: 5 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)) | BDBM6332![]() (2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.97E+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 2 (CDK2) (Homo sapiens (Human)) | BDBM6332![]() (2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...) | 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 | 665 | 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 | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6332![]() (2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tours Curated by ChEMBL | Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3... | Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6332![]() (2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...) | 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)) | BDBM6332![]() (2-Aminoquinazoline 10 | 7-methoxy-N-[4-(morpholin-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.40E+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 |