BDBM50056928 3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,4]dioxepin-11-one::CHEMBL368810::NSC-31867
SMILES: CCCCCc1cc(O)cc2OC(=O)c3c(Oc12)cc(O)cc3C(=O)CCCC
InChI Key: InChIKey=ZSMRNRJMUKTCNH-UHFFFAOYSA-N
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Kinesin-like protein KIF20B (Homo sapiens (Human)) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.87E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B... | J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin-like protein KIF20B (Homo sapiens (Human)) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E... | J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin-like protein KIF20B (Homo sapiens (Human)) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL... | J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin-like protein KIF20B (Homo sapiens (Human)) | BDBM50056928 (3,8-Dihydroxy-1-pentanoyl-6-pentyl-dibenzo[b,e][1,...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London Curated by ChEMBL | Assay Description Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es... | J Nat Prod 79: 1576-85 (2016) Article DOI: 10.1021/acs.jnatprod.5b00962 BindingDB Entry DOI: 10.7270/Q2D50PXF | |||||||||||
More data for this Ligand-Target Pair |