BDBM50237953 2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-ylthio)-1-(3,4-dihydroxyphenyl)ethanone::2-[4-allyl-5-(3-chlorophenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(3,4-dihydroxyphenyl)ethanone::CHEMBL400144::cid_1398345

SMILES: Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C

InChI Key: InChIKey=DZTFRDMOGLIUFL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50237953   

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
Alkaline phosphatase, tissue-nonspecific isozyme (Homo sapiens (Human))	BDBM50237953 (2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...) Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2CR5RRG
					More data for this Ligand-Target Pair
Alkaline phosphatase placental-like (Homo sapiens (Human))	BDBM50237953 (2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...) Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.62E+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 (2009) BindingDB Entry DOI: 10.7270/Q29S1PG8
					More data for this Ligand-Target Pair
Dual specificity phosphatase Cdc25B (Homo sapiens (Human))	BDBM50237953 (2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...) Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of Cdc25B (378-566) (unknown origin) expressed in Escherichia coli				J Med Chem 51: 5533-41 (2008) Article DOI: 10.1021/jm701157g BindingDB Entry DOI: 10.7270/Q20V8CMW
					More data for this Ligand-Target Pair
phosphatase Cdc25 (Homo sapiens (Human))	BDBM50237953 (2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...) Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of Cdc25A (336-523) (unknown origin) expressed in Escherichia coli				J Med Chem 51: 5533-41 (2008) Article DOI: 10.1021/jm701157g BindingDB Entry DOI: 10.7270/Q20V8CMW
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 4A3 (Homo sapiens (Human))	BDBM50237953 (2-(4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-y...) Show SMILES Oc1ccc(cc1O)C(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC=C Show InChI InChI=1S/C19H16ClN3O3S/c1-2-8-23-18(13-4-3-5-14(20)9-13)21-22-19(23)27-11-17(26)12-6-7-15(24)16(25)10-12/h2-7,9-10,24-25H,1,8,11H2	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sejong University Curated by ChEMBL					Assay Description Inhibition of human PRL3 expressed in Escherichia coli BL21 (DE3)				Bioorg Med Chem Lett 18: 2250-5 (2008) Article DOI: 10.1016/j.bmcl.2008.03.013 BindingDB Entry DOI: 10.7270/Q26Q1X08
					More data for this Ligand-Target Pair