BDBM50158728 3-(2-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetylamino)-benzoic acid::CHEMBL369010

SMILES: CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

InChI Key: InChIKey=CDDSKVQEBIGKIS-LICLKQGHSA-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 = 50158728   

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)	BDBM50158728 (3-(2-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...) Show SMILES CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C21H18N2O4S2/c1-2-13-6-8-14(9-7-13)10-17-19(25)23(21(28)29-17)12-18(24)22-16-5-3-4-15(11-16)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)/b17-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50158728 (3-(2-{5-[1-(4-Ethyl-phenyl)-meth-(Z)-ylidene]-4-ox...) Show SMILES CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C21H18N2O4S2/c1-2-13-6-8-14(9-7-13)10-17-19(25)23(21(28)29-17)12-18(24)22-16-5-3-4-15(11-16)20(26)27/h3-11H,2,12H2,1H3,(H,22,24)(H,26,27)/b17-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem 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