BDBM46227 MLS-0312434.0001::cid_4969416

SMILES: OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O

InChI Key: InChIKey=NVBGEYPWPGKWNJ-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 46227   

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))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.38E+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 (2009) BindingDB Entry DOI: 10.7270/Q2474894
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.35E+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
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.62E+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/Q28K77H7
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.37E+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: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.41E+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 (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZRN
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.42E+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/Q29G5K79
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	576	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
Zinc aminopeptidase (Plasmodium falciparum (isolate FcB1 / Columbia))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27H1H0J
					More data for this Ligand-Target Pair
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.90E+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/Q2445JXV
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM46227 (MLS-0312434.0001 | cid_4969416) Show SMILES OC(=O)CSc1cc(cn2c1nc1sc3CCCCc3c1c2=O)C(=O)c1ccccc1O Show InChI InChI=1S/C23H18N2O5S2/c26-15-7-3-1-5-13(15)20(29)12-9-17(31-11-18(27)28)21-24-22-19(23(30)25(21)10-12)14-6-2-4-8-16(14)32-22/h1,3,5,7,9-10,26H,2,4,6,8,11H2,(H,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.30E+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