BDBM2325 2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-3,4-dihydropyrimidin-4-one::S-DABO::thio-DABO 3w
SMILES: CC(c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F
InChI Key: InChIKey=UBGUQYHIHIWAKK-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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Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of wild type HIV1 3B reverse transcriptase | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase V106A mutant | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Roma La Sapienza Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase Y188L mutant | J Med Chem 50: 5412-24 (2007) Article DOI: 10.1021/jm070811e BindingDB Entry DOI: 10.7270/Q2H99803 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | 7.8 | 37 |
Universita degli Studi di Roma La Sapienza | 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 44: 2544-54 (2001) Article DOI: 10.1021/jm010853h BindingDB Entry DOI: 10.7270/Q2CN724V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM2325 (2-(cyclopentylsulfanyl)-6-[1-(2,6-difluorophenyl)e...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Roma La Sapienza | Assay Description Inhibitory concentration required to inhibit the HIV-1 reverse transcriptase activity | J Med Chem 47: 928-34 (2004) Article DOI: 10.1021/jm0309856 BindingDB Entry DOI: 10.7270/Q26W988R | |||||||||||
More data for this Ligand-Target Pair |