BDBM50433369 CHEMBL2377825
SMILES: Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O
InChI Key: InChIKey=JXJHPQHLHQTQQI-UHFFFAOYSA-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 |
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Cyclin-K (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK9/Cyclin K (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 7 (CDK7) (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK7/Cyclin H (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK6/cyclin D1 (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK6/Cyclin D1 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measure... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK5/P25 (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured afte... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK2/CycE (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK2/Cyclin E (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate m... | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK1/Cyclin A (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 1 (CDK1) (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK1/cyclin B1 (unknown origin) expressed in baculovirus expression system using histone H1 as substrate measured after 45 m... | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Inhibition of GST-tagged CDK4/Cyclin D1 (unknown origin) expressed in baculovirus expression system using GST-pRb (776 to 928 residues) as substrate ... | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CDK3/E (Homo sapiens (Human)) | BDBM50433369 (CHEMBL2377825) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL | Assay Description Inhibition of CDK3/Cyclin E (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured... | J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7 | |||||||||||
More data for this Ligand-Target Pair |