BDBM50158756 2-Hydroxy-4-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-butyrylamino)-benzoic acid::CHEMBL426588

SMILES: OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O

InChI Key: InChIKey=NFNMSUBXDRPCNB-GDNBJRDFSA-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 = 50158756   

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)	BDBM50158756 (2-Hydroxy-4-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O Show InChI InChI=1S/C19H16N2O5S3/c22-14-9-11(5-6-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50158756 (2-Hydroxy-4-(4-{4-oxo-5-[1-thiophen-2-yl-meth-(Z)-...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1O Show InChI InChI=1S/C19H16N2O5S3/c22-14-9-11(5-6-13(14)18(25)26)20-16(23)4-1-7-21-17(24)15(29-19(21)27)10-12-3-2-8-28-12/h2-3,5-6,8-10,22H,1,4,7H2,(H,20,23)(H,25,26)/b15-10-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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