BDBM50158716 4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionyl)-piperazine-1-carboxylic acid ethyl ester::CHEMBL368303

SMILES: CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O

InChI Key: InChIKey=ZHNOAFZCOYUPEX-JXAWBTAJSA-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 = 50158716   

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)	BDBM50158716 (4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O Show InChI InChI=1S/C22H27N3O6S2/c1-4-31-21(28)24-11-9-23(10-12-24)19(26)7-8-25-20(27)18(33-22(25)32)14-15-5-6-16(29-2)17(13-15)30-3/h5-6,13-14H,4,7-12H2,1-3H3/b18-14-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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)	BDBM50158716 (4-(3-{5-[1-(3,4-Dimethoxy-phenyl)-meth-(Z)-ylidene...) Show SMILES CCOC(=O)N1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccc(OC)c(OC)c2)C1=O Show InChI InChI=1S/C22H27N3O6S2/c1-4-31-21(28)24-11-9-23(10-12-24)19(26)7-8-25-20(27)18(33-22(25)32)14-15-5-6-16(29-2)17(13-15)30-3/h5-6,13-14H,4,7-12H2,1-3H3/b18-14-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	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