BDBM50158736 4-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-propionylamino)-benzoic acid::CHEMBL176125

SMILES: OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1

InChI Key: InChIKey=UJYVFXUXYFDAFT-GXDHUFHOSA-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 = 50158736   

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)	BDBM50158736 (4-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...) Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1 Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-5-3-11(4-6-12)17(23)24)7-8-20-16(22)14(27-18(20)25)10-13-2-1-9-26-13/h1-6,9-10H,7-8H2,(H,19,21)(H,23,24)/b14-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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)	BDBM50158736 (4-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2...) Show SMILES OC(=O)c1ccc(NC(=O)CCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1 Show InChI InChI=1S/C18H14N2O4S3/c21-15(19-12-5-3-11(4-6-12)17(23)24)7-8-20-16(22)14(27-18(20)25)10-13-2-1-9-26-13/h1-6,9-10H,7-8H2,(H,19,21)(H,23,24)/b14-10+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+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