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-A1/Cyclin-A2/Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description Inhibition of Cyclin A-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin A |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Inhibition of human cdk2/cyclin E |
Science 281: 533-538 (1998)
BindingDB Entry DOI: 10.7270/Q28G8MMG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1/G1/S-specific cyclin-E2
(298/298 = 100%)† (Homo sapiens (Human)) | BDBM7478
(2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpr...)Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description Inhibition of Cyclin E-cyclin-dependent kinase 2 |
J Med Chem 45: 2366-78 (2002)
BindingDB Entry DOI: 10.7270/Q25B01SB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |