BDBM50333252 CHEMBL1645247::N1-(4-chloro-3-fluorophenyl)-N2-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)oxalamide
SMILES: Cc1n[nH]c(C)c1CNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
InChI Key: InChIKey=OVVBWYBHCMZFLC-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM50333252 (CHEMBL1645247 | N1-(4-chloro-3-fluorophenyl)-N2-((...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 4.00E+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...) | BDBM50333252 (CHEMBL1645247 | N1-(4-chloro-3-fluorophenyl)-N2-((...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 6.45E+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 |