BDBM10233 13-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-5-chloro-2-ethyl-7-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::8-heteroarylthiomethyldipyridodiazepinone deriv. 15
SMILES: CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3nc4ccccc4o3)cnc12
InChI Key: InChIKey=IEZOLPNZJAVUST-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Reverse Transcriptase Mutant (K103N/Y181C) (Human immunodeficiency virus type 1) | BDBM10233 (13-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-5-chloro-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe... | Bioorg Med Chem Lett 14: 739-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.049 BindingDB Entry DOI: 10.7270/Q2C53J2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM10233 (13-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-5-chloro-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe... | Bioorg Med Chem Lett 14: 739-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.049 BindingDB Entry DOI: 10.7270/Q2C53J2D | |||||||||||
More data for this Ligand-Target Pair |