BDBM50339536 (+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)methyl]-phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one::CHEMBL1688575
SMILES: CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(CSc2ccc(F)cc2Cl)cc1
InChI Key: InChIKey=WORXHPZHYHJBAR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA/dTTP ternary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 wild type reverse transcriptase/poly(rA)/oligo(dT) DNA binary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 free wild type reverse transcriptase | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant/poly(rA)/oligo(dT) DNA binary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 free reverse transcriptase V179D mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA/dTTP ternary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 free reverse transcriptase L100I mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant/poly(rA)/oligo(dT) DNA binary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant/poly(rA)/oligo(dT) DNA binary complex | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 free reverse transcriptase K103N mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase K103N mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse Transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase L100I mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` di Siena Curated by ChEMBL | Assay Description Inhibition of human adenosine kinase | J Med Chem 54: 1401-20 (2011) Article DOI: 10.1021/jm101438u BindingDB Entry DOI: 10.7270/Q2XD120B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 reverse transcriptase V179D mutant | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM50339536 ((+/-)-6-Ethyl-6-[4-[(2-chloro-4-fluorophenylthio)m...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
2-Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of HIV1 wild type reverse transcriptase | Bioorg Med Chem Lett 21: 3935-8 (2011) Article DOI: 10.1016/j.bmcl.2011.05.020 BindingDB Entry DOI: 10.7270/Q2319ZQ9 | |||||||||||
More data for this Ligand-Target Pair |