BDBM27614 3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl}phenoxy)-5-chlorobenzonitrile::annulated pyrazole compound, 6
SMILES: Fc1c(Cc2n[nH]c3nnccc23)ccc(Br)c1Oc1cc(Cl)cc(c1)C#N
InChI Key: InChIKey=OHQMEDBYNUAVNE-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 |
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HIV-1 Reverse Transcriptase Mutant (103N/181C) (Human immunodeficiency virus type 1) | BDBM27614 (3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...) | PDB MMDB B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 3 | n/a | 4 | n/a | n/a | 8.0 | 30 |
Roche Palo Alto LLC | Assay Description IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi... | J Med Chem 51: 7449-58 (2008) Article DOI: 10.1021/jm800527x BindingDB Entry DOI: 10.7270/Q2TQ5ZV0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1 group M subtyp...) | BDBM27614 (3-(6-bromo-2-fluoro-3-{1H-pyrazolo[3,4-c]pyridazin...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | n/a | n/a | 3 | n/a | 1 | n/a | n/a | 8.0 | 30 |
Roche Palo Alto LLC | Assay Description IC50s were obtained from the inhibition of the RNA-dependent DNA polymerase activity of the HIV-1 reverse transcriptase enzyme using a primer extensi... | J Med Chem 51: 7449-58 (2008) Article DOI: 10.1021/jm800527x BindingDB Entry DOI: 10.7270/Q2TQ5ZV0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |