BDBM50358213 CHEMBL1922219::US8846696, (2R3S)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol
SMILES: CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
InChI Key: InChIKey=SCACHXWSWJBIHG-HIFRSBDPSA-N
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)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 30 | 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)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.20E+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 4 (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 6.80E+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 7 (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 1.30E+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 | |||||||||||||
cAMP-dependent protein kinase (PKA) (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB 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 | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.20E+3 | 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 | |||||||||||||
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CDK9/cyclin T1 | 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 | |||||||||||||
Cyclin-dependent kinase 7 (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+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 in human HT29 cells assessed as reduction in RNA polymerase 2 expression | 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 | |||||||||||||
Cyclin-dependent kinase 9 (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CDK9 in human HT29 cells assessed as reduction in RNA polymerase 2 expression | 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 | |||||||||||||
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+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)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+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 | |||||||||||||
Mitogen-activated protein kinase 1 (Homo sapiens (Human)) | BDBM50358213 (CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 2.00E+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 |