BDBM1632 2-ethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-one::Pyridobenzodiazepinone deriv. 3
SMILES: CCN1c2ccccc2NC(=O)c2cccnc12
InChI Key: InChIKey=CRAIICFGDIPWGD-UHFFFAOYSA-N
Data: 1 IC50
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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) | BDBM1632 (2-ethyl-2,4,10-triazatricyclo[9.4.0.0^{3,8}]pentad...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 380 | n/a | n/a | n/a | n/a | 7.8 | 22 |
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 34: 2231-41 (1991) Article DOI: 10.1021/jm00111a045 BindingDB Entry DOI: 10.7270/Q2TT4P4X | |||||||||||
More data for this Ligand-Target Pair |