BDBM50158726 CHEMBL175563::N-Benzo[1,3]dioxol-5-yl-3-{5-[1-benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionamide

SMILES: O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1

InChI Key: InChIKey=RCFDVWOIBCWXLA-LSCVHKIXSA-N

Data: 2 IC50

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 2 hits for monomerid = 50158726   

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)	BDBM50158726 (CHEMBL175563 | N-Benzo[1,3]dioxol-5-yl-3-{5-[1-ben...) Show SMILES O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C21H16N2O6S2/c24-19(22-13-2-4-15-17(9-13)29-11-27-15)5-6-23-20(25)18(31-21(23)30)8-12-1-3-14-16(7-12)28-10-26-14/h1-4,7-9H,5-6,10-11H2,(H,22,24)/b18-8-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory concentration against human immuno deficiency virus type 1 integrase (Strand Transfer)				J Med Chem 48: 111-20 (2005) Article DOI: 10.1021/jm0496077 BindingDB Entry DOI: 10.7270/Q28S4PD6
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50158726 (CHEMBL175563 | N-Benzo[1,3]dioxol-5-yl-3-{5-[1-ben...) Show SMILES O=C(CCN1C(=S)S\C(=C/c2ccc3OCOc3c2)C1=O)Nc1ccc2OCOc2c1 Show InChI InChI=1S/C21H16N2O6S2/c24-19(22-13-2-4-15-17(9-13)29-11-27-15)5-6-23-20(25)18(31-21(23)30)8-12-1-3-14-16(7-12)28-10-26-14/h1-4,7-9H,5-6,10-11H2,(H,22,24)/b18-8-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Southern California Curated by ChEMBL					Assay Description Inhibitory concentration against human immuno deficiency virus type 1 integrase (3'-processing)				J Med Chem 48: 111-20 (2005) Article DOI: 10.1021/jm0496077 BindingDB Entry DOI: 10.7270/Q28S4PD6
					More data for this Ligand-Target Pair