BDBM27607 4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)phenyl]-2,2-dimethylbut-3-ynoic acid::tetrazolyl compound, 2
SMILES: CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(cc2Cl)C2CC2)c(Cl)c1)C(O)=O
InChI Key: InChIKey=VTDODEQREQSSAV-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 group M subtyp...) | BDBM27607 (4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | 7.4 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe... | Bioorg Med Chem Lett 19: 1199-205 (2009) Article DOI: 10.1016/j.bmcl.2008.12.074 BindingDB Entry DOI: 10.7270/Q2ZG6QKQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM27607 (4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase K103N/Y181C mutant by scintillation proximity assay | Bioorg Med Chem Lett 17: 4437-41 (2007) Article DOI: 10.1016/j.bmcl.2007.06.012 BindingDB Entry DOI: 10.7270/Q2BR8VZ7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Reverse Transcriptase Mutant (103N/181C) (Human immunodeficiency virus type 1) | BDBM27607 (4-[3-chloro-4-(2-{[1-(2-chloro-4-cyclopropylphenyl...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim (Canada) Ltd. | Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres... | Bioorg Med Chem Lett 19: 1199-205 (2009) Article DOI: 10.1016/j.bmcl.2008.12.074 BindingDB Entry DOI: 10.7270/Q2ZG6QKQ | |||||||||||
More data for this Ligand-Target Pair |