null
SMILES: O=C1N2CCSC2(c2ccccc12)c1ccccc1
InChI Key: InChIKey=CTGFADZNCCTVMP-UHFFFAOYSA-N
PDB links: 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1) | BDBM1354 (9-Phenyl-2,3-Dihydrothiazola[2,3-a]isoindol-5(9bH)...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Mannheim GmbH Curated by ChEMBL | Assay Description In vitro for inhibitory activity against HIV-1 Reverse Transcriptase | J Med Chem 36: 726-32 (1993) BindingDB Entry DOI: 10.7270/Q2ZG6R9J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gag-Pol polyprotein [588-1027]/[588-1147] (Human immunodeficiency virus type 1) | BDBM1354 (9-Phenyl-2,3-Dihydrothiazola[2,3-a]isoindol-5(9bH)...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 700 | n/a | n/a | n/a | n/a | 7.7 | 37 |
Boehringer Mannheim GmbH | 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 36: 2526-35 (1993) Article DOI: 10.1021/jm00069a011 BindingDB Entry DOI: 10.7270/Q2BR8QCZ | |||||||||||
More data for this Ligand-Target Pair |