BDBM2720 1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6-methoxyphenyl)ethyl]urea::CHEMBL40562::N-[2-(3-Acetyl-2-fluoro-6-methoxyphenethyl)]-N-[2-(5-chloropyridy)]urea::urea-PETT deriv. 5
SMILES: COc1ccc(C(C)=O)c(F)c1CCNC(=O)Nc1ccc(Cl)cn1
InChI Key: InChIKey=IBZIVPBFTSKDAZ-UHFFFAOYSA-N
Data: 6 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) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 109 | n/a | n/a | n/a | n/a | 7.8 | 37 |
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) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.01E+4 | n/a | n/a | n/a | n/a | 7.8 | 37 |
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 | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90) | Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Leu 100 to Ile 100 (clone 118) | Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Medivir AB Curated by ChEMBL | Assay Description Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutation Tyr 181 to Cys 181 (clone 90) | Bioorg Med Chem Lett 8: 1511-6 (1999) BindingDB Entry DOI: 10.7270/Q2RR1XDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1) | BDBM2720 (1-(5-chloropyridin-2-yl)-3-[2-(3-acetyl-2-fluoro-6...) | PDB MMDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.70E+3 | n/a | n/a | n/a | n/a | 7.8 | 37 |
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 |