BDBM2120 1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluorophenyl)ethyl]thiourea::LY300046HCl Analog 4::N-[2-(3-Cyano-2,6-difluorophenethyl)]-N-[2-(5-chloropyridyl)]thiourea::PETT deriv.
SMILES: Fc1ccc(C#N)c(F)c1CCNC(=S)Nc1ccc(Cl)cn1
InChI Key: InChIKey=OZXHOQRXBCCXFI-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) | BDBM2120 (1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.8 | 37 |
Lilly Research Laboratories | 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1) | BDBM2120 (1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.8 | 37 |
Lilly Research Laboratories | 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (L100I) (Human immunodeficiency virus type 1) | BDBM2120 (1-(5-chloropyridin-2-yl)-3-[2-(3-cyano-2,6-difluor...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | 7.8 | 37 |
Lilly Research Laboratories | 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 39: 4261-74 (1996) Article DOI: 10.1021/jm950639r BindingDB Entry DOI: 10.7270/Q2542KSN | |||||||||||
More data for this Ligand-Target Pair |