BDBM50358235 CHEMBL1922209::US8846696, (3RS,4S)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
SMILES: CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
InChI Key: InChIKey=VFEDEOUBYBLDKN-VYRBHSGPSA-N
Data: 9 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 2 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 110 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 4 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 7 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CDK1/cyclin B | Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CDK7/cyclin H | Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of ERK2 | Bioorg Med Chem 19: 6949-65 (2011) Article DOI: 10.1016/j.bmc.2011.08.051 BindingDB Entry DOI: 10.7270/Q2NP24V1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50358235 (CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Cyclacel Limited; Cancer Research Technology Limited US Patent | Assay Description The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi... | US Patent US8846696 (2014) BindingDB Entry DOI: 10.7270/Q2Z31XCT | |||||||||||
More data for this Ligand-Target Pair |