BDBM50082063 (+/-)-6-ethyl-6-(p-tolyl)pyrrolo[2,1-d][1,5]benzoxazepin-7(6H)-one::5-Ethyl-5-p-tolyl-6-oxa-10b-aza-benzo[e]azulen-4-one::CHEMBL342620
SMILES: CCC1(Oc2ccccc2-n2cccc2C1=O)c1ccc(C)cc1
InChI Key: InChIKey=LRKSZHPGBHPTGM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1) | BDBM50082063 ((+/-)-6-ethyl-6-(p-tolyl)pyrrolo[2,1-d][1,5]benzox...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita' degli Studi di Salerno Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV-1 wild type reverse transcriptase (RT) | J Med Chem 42: 4462-70 (1999) BindingDB Entry DOI: 10.7270/Q20R9NMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine kinase (Homo sapiens (Human)) | BDBM50082063 ((+/-)-6-ethyl-6-(p-tolyl)pyrrolo[2,1-d][1,5]benzox...) | 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 | 8.00E+4 | 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 |