BDBM12080 6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one::6-chloro-4-(cyclohexylsulfanyl)-3-propyl-1,2-dihydroquinolin-2-one::quinolone-based inhibitor 5
SMILES: CCCc1c(SC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O
InChI Key: InChIKey=CLKFNGKDJYMUPK-UHFFFAOYSA-N
Data: 3 IC50
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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) | BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Oxford | 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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 Reverse Transcriptase Mutant (L100I) (Human immunodeficiency virus type 1) | BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Oxford | 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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM12080 (6-Chloro-4-Cyclohexylthio-3-propyl-1H-quinol-2-one...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 860 | n/a | n/a | n/a | n/a | 7.8 | 22 |
University of Oxford | 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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |