BDBM2064 13-amino-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::8-Amino-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::8-Substituted Dipyridodiazepinone 5
SMILES: CCN1c2ncccc2N(C)C(=O)c2cc(N)cnc12
InChI Key: InChIKey=ZQEDJHKILXMIFY-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2064 (13-amino-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL | Assay Description In vitro for inhibition of HIV-1 reverse transcriptase. | J Med Chem 38: 1406-10 (1995) BindingDB Entry DOI: 10.7270/Q2MG7NJQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2064 (13-amino-2-ethyl-9-methyl-2,4,9,15-tetraazatricycl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 100 | 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 41: 2960-71 (1998) Article DOI: 10.1021/jm9707028 BindingDB Entry DOI: 10.7270/Q28W3BH2 | |||||||||||
More data for this Ligand-Target Pair |