Found 3 hits Enz. Inhib. hit(s) with Target = 'Deoxycytidine kinase' and Ligand = 'BDBM50311539' 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 |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50311539
(2-(4-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)pipe...)Show SMILES O=C(CN1CCN(CC1)c1cc(ncn1)-c1cc2ccccc2s1)N1CCCC1 Show InChI InChI=1S/C22H25N5OS/c28-22(27-7-3-4-8-27)15-25-9-11-26(12-10-25)21-14-18(23-16-24-21)20-13-17-5-1-2-6-19(17)29-20/h1-2,5-6,13-14,16H,3-4,7-12,15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of human deoxycytidine kinase by lysate filter binding assay |
Bioorg Med Chem Lett 19: 6784-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.081 BindingDB Entry DOI: 10.7270/Q2CV4HVK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50311539
(2-(4-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)pipe...)Show SMILES O=C(CN1CCN(CC1)c1cc(ncn1)-c1cc2ccccc2s1)N1CCCC1 Show InChI InChI=1S/C22H25N5OS/c28-22(27-7-3-4-8-27)15-25-9-11-26(12-10-25)21-14-18(23-16-24-21)20-13-17-5-1-2-6-19(17)29-20/h1-2,5-6,13-14,16H,3-4,7-12,15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of dCK in human CCRF-CEM assessed as inhibition of Ara-C phosohorylation |
Bioorg Med Chem Lett 19: 6780-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Deoxycytidine kinase
(Homo sapiens (Human)) | BDBM50311539
(2-(4-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)pipe...)Show SMILES O=C(CN1CCN(CC1)c1cc(ncn1)-c1cc2ccccc2s1)N1CCCC1 Show InChI InChI=1S/C22H25N5OS/c28-22(27-7-3-4-8-27)15-25-9-11-26(12-10-25)21-14-18(23-16-24-21)20-13-17-5-1-2-6-19(17)29-20/h1-2,5-6,13-14,16H,3-4,7-12,15H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
| MMDB PDB Article PubMed
| n/a | n/a | 5.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Princ
Curated by ChEMBL
| Assay Description Inhibition of human dCK |
Bioorg Med Chem Lett 19: 6780-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.082 BindingDB Entry DOI: 10.7270/Q2HM58K9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |