BDBM50158706 5-(3-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionylamino)-2-hydroxy-benzoic acid::CHEMBL176113

SMILES: CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1

InChI Key: InChIKey=HRDXQLYCMBCNCX-WQRHYEAKSA-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 = 50158706   

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)	BDBM50158706 (5-(3-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...) Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H20N2O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)24(22(30)31-18)10-9-19(26)23-15-7-8-17(25)16(12-15)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+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 (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)	BDBM50158706 (5-(3-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...) Show SMILES CCc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3ccc(O)c(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C22H20N2O5S2/c1-2-13-3-5-14(6-4-13)11-18-20(27)24(22(30)31-18)10-9-19(26)23-15-7-8-17(25)16(12-15)21(28)29/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26)(H,28,29)/b18-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+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