BDBM95256 2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsulfanyl)-N-phenethyl-acetamide::2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-N-(2-phenylethyl)acetamide::2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(2-phenylethyl)acetamide::2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(2-phenylethyl)ethanamide::2-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]-N-phenethyl-acetamide::MLS000558154::SMR000148870::cid_2014844
SMILES: Cc1nc(SCC(=O)NCCc2ccccc2)c2oc3ccccc3c2n1
InChI Key: InChIKey=LAQIBEHWRBFZQH-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95256 (2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95256 (2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...) | BDBM95256 (2-(2-Methyl-benzo[4,5]furo[3,2-d]pyrimidin-4-ylsul...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0 | ||||||||||||
More data for this Ligand-Target Pair |