Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50039466 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 |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50008935
((20S)-10-Dimethylaminomethyl-4-ethyl-4,9-dihydroxy...)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccc(O)c(CN(C)C)c4cc3Cn1c2=O |r| Show InChI InChI=1S/C23H23N3O5/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20/h5-8,27,30H,4,9-11H2,1-3H3/t23-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 26.5 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description Binding affinity to topoisomerase 1 |
J Nat Prod 74: 1401-7 (2011)
Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50378912
(CHEMBL1813809)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N/OCCCO)c3Cn1c2=O |r| Show InChI InChI=1S/C24H23N3O6/c1-2-24(31)18-10-20-21-16(12-27(20)22(29)17(18)13-32-23(24)30)15(11-25-33-9-5-8-28)14-6-3-4-7-19(14)26-21/h3-4,6-7,10-11,28,31H,2,5,8-9,12-13H2,1H3/b25-11-/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 2.65 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description Binding affinity to topoisomerase 1 |
J Nat Prod 74: 1401-7 (2011)
Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ |
More data for this Ligand-Target Pair | |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50378911
(CHEMBL1813808)Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(\C=N\c4ccccc4C)c3Cn1c2=O |r| Show InChI InChI=1S/C28H23N3O4/c1-3-28(34)21-12-24-25-19(14-31(24)26(32)20(21)15-35-27(28)33)18(17-9-5-7-11-23(17)30-25)13-29-22-10-6-4-8-16(22)2/h4-13,34H,3,14-15H2,1-2H3/b29-13+/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 0.296 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description Binding affinity to topoisomerase 1 |
J Nat Prod 74: 1401-7 (2011)
Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50378910
(TOPOPYRONE C)Show SMILES Cc1cc(=O)c2c(O)cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c2o1 Show InChI InChI=1S/C18H10O7/c1-6-2-10(20)15-12(22)5-9-14(18(15)25-6)17(24)13-8(16(9)23)3-7(19)4-11(13)21/h2-5,19,21-22H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 1.35 | n/a | n/a | n/a | n/a | n/a |
Universita di Salerno
Curated by ChEMBL
| Assay Description Binding affinity to weel kinase |
J Nat Prod 74: 1401-7 (2011)
Article DOI: 10.1021/np100935s BindingDB Entry DOI: 10.7270/Q20V8DSJ |
More data for this Ligand-Target Pair | |