BDBM50088358 4-Dimethylamino-3,6,12-trihydroxy-6,10-dimethyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-naphthacene-2-carboxylic acid [(2-hydroxy-1,1-bis-hydroxymethyl-ethylamino)-methyl]-amide; hydrochloride::CHEMBL553067::NSC-64205
SMILES: CN(C)[C@H]1[C@@H]2C[C@H]3C(C(=O)C2C(=O)C(C(=O)NCNC(CO)(CO)CO)C1=O)C(=O)c1c(C)cccc1C3(C)O
InChI Key: InChIKey=KXOXEOJMDGSUEO-WKDYOMSMSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50088358 (4-Dimethylamino-3,6,12-trihydroxy-6,10-dimethyl-1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50088358 (4-Dimethylamino-3,6,12-trihydroxy-6,10-dimethyl-1,...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer | J Med Chem 43: 2100-14 (2000) BindingDB Entry DOI: 10.7270/Q27D2VTS | |||||||||||
More data for this Ligand-Target Pair |