BDBM2729 1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea::N-[cis-2-(6-Fluoro-2-hydroxy-3-propionylphenyl)cyclopropyl]-N-[2-(5-cyanopyridyl)]urea::urea-PETT deriv. 14
SMILES: CCC(=O)c1ccc(F)c(C2CC2NC(=O)Nc2ccc(cn2)C#N)c1O
InChI Key: InChIKey=NKPHEWJJTGPRSL-UHFFFAOYSA-N
Data: 3 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) | BDBM2729 (1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB | 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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1) | BDBM2729 (1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB | 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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM2729 (1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB | 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 42: 4150-60 (1999) Article DOI: 10.1021/jm990095j BindingDB Entry DOI: 10.7270/Q25X273G | |||||||||||
More data for this Ligand-Target Pair |