BDBM6276 8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenylamino]-8H-pyrido[2,3-d]pyrimidin-7-one::8-cyclopentyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one::FRAX019::N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68::Pyrido[2,3-d]pyrimidin-7-one 1
SMILES: CN1CCN(CC1)c1ccc(Nc2ncc3ccc(=O)n(C4CCCC4)c3n2)cc1
InChI Key: InChIKey=FUBDWXAVMGEMPP-UHFFFAOYSA-N
Data: 7 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 4 (CDK4) (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | 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 | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research | 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... | J Med Chem 43: 4606-16 (2000) Article DOI: 10.1021/jm000271k BindingDB Entry DOI: 10.7270/Q25B00N4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | 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 | 7 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer | 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... | J Med Chem 48: 2371-87 (2005) Article DOI: 10.1021/jm049355+ BindingDB Entry DOI: 10.7270/Q2S46Q5B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | 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... | J Med Chem 48: 2371-87 (2005) Article DOI: 10.1021/jm049355+ BindingDB Entry DOI: 10.7270/Q2S46Q5B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 39 | 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) | Eur J Med Chem 108: 701-19 (2016) BindingDB Entry DOI: 10.7270/Q22J6DQD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
p21-Activated kinase 1 (PAK1) (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | PDB GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute | Assay Description IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma... | J Biol Chem 288: 29105-14 (2013) Article DOI: 10.1074/jbc.M113.510933 BindingDB Entry DOI: 10.7270/Q2B27T4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute | Assay Description IC50 values were determined using a 10 concentration point, non-radioactive, functional assay that employs a fluorescence-based, coupled enzyme forma... | J Biol Chem 288: 29105-14 (2013) Article DOI: 10.1074/jbc.M113.510933 BindingDB Entry DOI: 10.7270/Q2B27T4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM6276 (8-Cyclopentyl-2-[4-(4-methylpiperazin-1-yl)phenyla...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer | 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... | J Med Chem 48: 2371-87 (2005) Article DOI: 10.1021/jm049355+ BindingDB Entry DOI: 10.7270/Q2S46Q5B | |||||||||||
More data for this Ligand-Target Pair |