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BDBM2058 2,8-disubstituted dipyridodiazepinone 41::2-Chloro-5,11-dihydro-11-ethyl-5-methyl-8-(pyridinylthio)methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-9-methyl-13-[(pyridin-4-ylsulfanyl)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one::8-heteroarylthiomethyldipyridodiazepinone deriv. 1
SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CSc3ccncc3)cnc12
InChI Key: InChIKey=AHAQASQWEHMCHG-UHFFFAOYSA-N
Data: 5 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 (Human immunodeficiency virus type 1) | BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) | PDB MMDB B.MOAD GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro. | J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Inhibitory activity against HIV-1 wild-type reverse transcriptase. | J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Reverse Transcriptase Mutant (K103N/Y181C) (Human immunodeficiency virus type 1) | BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26 | 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) | BDBM2058 (2,8-disubstituted dipyridodiazepinone 41 | 2-Chlor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | 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 | |||||||||||||
