BDBM46228 MLS-0261072.0001::cid_2545473

SMILES: OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O

InChI Key: InChIKey=DBGGLZDZRKKRJE-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 46228   

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
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.75E+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/Q2474894
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.46E+4	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/Q2DB807Z
					More data for this Ligand-Target Pair
hypothetical protein SA1422 (Staphylococcus aureus subsp. aureus N315)	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BV7F7H
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q23X8539
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.75E+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/Q21N7ZJW
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46228 (MLS-0261072.0001 | cid_2545473) Show SMILES OC(=O)CSc1cc(cn2c1nc1scc(-c3ccccc3)c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C25H16N2O5S2/c28-18-9-5-4-8-16(18)22(31)15-10-19(33-13-20(29)30)23-26-24-21(25(32)27(23)11-15)17(12-34-24)14-6-2-1-3-7-14/h1-12,28H,13H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.93E+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/Q28K77H7
					More data for this Ligand-Target Pair