BDBM50333228 CHEMBL1645270::N1-(((4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-N2-(4-chloro-3-fluorophenyl)oxalamide
SMILES: CC1(C)O[C@@H](CN)[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)O1
InChI Key: InChIKey=KUDYRECLZBUMDK-RYUDHWBXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM50333228 (CHEMBL1645270 | N1-(((4S,5S)-5-(aminomethyl)-2,2-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a |
Bryn Mawr College Curated by ChEMBL | Assay Description Binding affinity to HIV1 YU2 gp120 by isothermal titration calorimetry assay | Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM50333228 (CHEMBL1645270 | N1-(((4S,5S)-5-(aminomethyl)-2,2-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 7.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Bryn Mawr College Curated by ChEMBL | Assay Description Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs | Bioorg Med Chem 19: 91-101 (2011) Article DOI: 10.1016/j.bmc.2010.11.049 BindingDB Entry DOI: 10.7270/Q25H7GHH | |||||||||||
More data for this Ligand-Target Pair |