BDBM50158719 3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionylamino)-benzoic acid::CHEMBL369513::cid_2046323

SMILES: COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

InChI Key: InChIKey=MQSLIGKXNJPGNP-BOPFTXTBSA-N

Data: 3 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 3 hits for monomerid = 50158719   

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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human))	BDBM50158719 (3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	6.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2V986KM
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50158719 (3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+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)	BDBM50158719 (3-(3-{5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-4-...) Show SMILES COc1ccc(\C=C2/SC(=S)N(CCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1 Show InChI InChI=1S/C21H18N2O5S2/c1-28-16-7-5-13(6-8-16)11-17-19(25)23(21(29)30-17)10-9-18(24)22-15-4-2-3-14(12-15)20(26)27/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,26,27)/b17-11-	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+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