BDBM50011132 ALLINI-1::CHEMBL3259891
SMILES: COC(C(O)=O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1
InChI Key: InChIKey=BNDPDYQQAJUJPY-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein (Capsid Protein) (Human immunodeficiency virus type 1 group M subtyp...) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University | Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ... | J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 integrase (IN) A128T (Human immunodeficiency virus 1 (Virus)) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 2.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University | Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ... | J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University Curated by ChEMBL | Assay Description Inhibition of recombinant full length C-terminal His-tagged HIV1 integrase expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of re... | Bioorg Med Chem Lett 26: 4748-4752 (2016) Article DOI: 10.1016/j.bmcl.2016.08.037 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 integrase (IN) A128T (Human immunodeficiency virus 1 (Virus)) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University | Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ... | J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase by LTR cleavage assay | ACS Med Chem Lett 5: 422-7 (2014) Article DOI: 10.1021/ml500002n BindingDB Entry DOI: 10.7270/Q2K64KMK | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein (Capsid Protein) (Human immunodeficiency virus type 1 group M subtyp...) | BDBM50011132 (ALLINI-1 | CHEMBL3259891) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
The Ohio State University | Assay Description A recently reported time-resolved fluorescence assay [J. Biol. Chem. 287: 21189-21203] was used to quantify IN 3'-processing and strand transfer ... | J Biol Chem 288: 15813-20 (2013) Article DOI: 10.1074/jbc.M112.443390 BindingDB Entry DOI: 10.7270/Q23R0RP6 | |||||||||||
More data for this Ligand-Target Pair |