BDBM154576 K03861 (1)
SMILES: CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
InChI Key: InChIKey=PWDLXPJQFNVTNL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 50 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford | Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 18.6 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford | Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 15.4 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford | Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | 7.5 | 834.45 |
University of Oxford | Assay Description All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 °C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 (CDK2 F80T) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 1 (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
The First Affiliated Hospital of Zhengzhou University Curated by ChEMBL | Assay Description Binding affinity to CDK1 (unknown origin) | Eur J Med Chem 164: 615-639 (2019) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 7.20E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 (CDK2 C118I) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 (CDK2 A144G) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 800 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent kinase 2 (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
University of South Australia Cancer Research Institute Curated by ChEMBL | Assay Description Binding affinity to wild-type CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells by isothermal titration calorimetric method | J Med Chem 62: 4233-4251 (2019) Article DOI: 10.1021/acs.jmedchem.8b01469 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-dependent protein kinase 2 (CDK2 F80M) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | PDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Oxford | Assay Description For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as... | ACS Chem Biol 10: 2116-25 (2015) Article DOI: 10.1021/acschembio.5b00398 BindingDB Entry DOI: 10.7270/Q2VH5MKH | |||||||||||
More data for this Ligand-Target Pair |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
Cyclin-dependent protein kinase 2 (CDK2 WT) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | DrugBank GoogleScholar KEGG PDB | PC cid PC sid PDB | -9.55 | 5.23 | -14.8 | 7.25 | 7.5 | 15 | |
University of Oxford | ACS Chem Biol 10: 2116-25 (2015) | |||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | GoogleScholar PDB | PC cid PC sid PDB | -10.2 | 4.75 | -14.9 | 7.74 | 7.5 | 15 | |
University of Oxford | ACS Chem Biol 10: 2116-25 (2015) | |||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | GoogleScholar PDB | PC cid PC sid PDB | -10.3 | 5.51 | -15.8 | 7.81 | 7.5 | 15 | |
University of Oxford | ACS Chem Biol 10: 2116-25 (2015) | |||||||||
Cyclin-dependent protein kinase 2 variant (CDK2 C118L/A144C) (Homo sapiens (Human)) | BDBM154576 (K03861 (1)) | GoogleScholar PDB | PC cid PC sid PDB | -10.6 | 7.57 | -18.2 | 8.05 | 7.5 | 15 | |
University of Oxford | ACS Chem Biol 10: 2116-25 (2015) |