BDBM1371 9b-(3-ethylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][1,3]thiazol-5-one::Thiazoloisoindol-5-one deriv. 15

SMILES: CCc1cccc(c1)C12SCCN1C(=O)c1ccccc21

InChI Key: InChIKey=XVOXGXATBNYXMQ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 1371   

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)	BDBM1371 (9b-(3-ethylphenyl)-2H,3H,5H,9bH-isoindolo[1,2-b][1...) Show SMILES CCc1cccc(c1)C12SCCN1C(=O)c1ccccc21 Show InChI InChI=1S/C18H17NOS/c1-2-13-6-5-7-14(12-13)18-16-9-4-3-8-15(16)17(20)19(18)10-11-21-18/h3-9,12H,2,10-11H2,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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