Found 4 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cyclin-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM6619
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
| Assay Description In vitro kinase assays using synthetic peptides and purified enzymes were incubated at 30°C for 45 min in buffer that contained 50 uM ATP, and d... |
J Med Chem 44: 4628-40 (2001)
Article DOI: 10.1021/jm010326y BindingDB Entry DOI: 10.7270/Q2BV7DS8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM6619
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CDK2 |
Bioorg Med Chem Lett 16: 5122-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.07.026 BindingDB Entry DOI: 10.7270/Q2K35VF0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM6619
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Cyclacel Limited
| Assay Description In vitro kinase inhibition assay. |
Chem Biol 11: 525-34 (2004)
Article DOI: 10.1016/j.chembiol.2004.03.022 BindingDB Entry DOI: 10.7270/Q2Q23XP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM6619
(3-[(9bR)-5-oxo-1H,2H,3H,5H,9bH-benzo[a]pyrrolizin-...)Show SMILES O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r| Show InChI InChI=1S/C17H16N4O2/c22-16-11-5-3-6-12(15(11)13-7-4-10-21(13)16)19-17(23)20-14-8-1-2-9-18-14/h1-3,5-6,8-9,13H,4,7,10H2,(H2,18,19,20,23)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgetown University
Curated by ChEMBL
| Assay Description Inhibition of CDK2 |
AAPS J 8: 204-21 (2006)
Article DOI: 10.1208/aapsj080125 BindingDB Entry DOI: 10.7270/Q2TX3GBS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |