BDBM51789 2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-keto-indolin-3-ylidene]-4-keto-2-thioxo-thiazolidin-3-yl]ethanesulfonic acid::2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxo-3-indolylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid::2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-oxoethyl]-2-oxoindol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid::2-[(5Z)-5-[1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-indol-3-ylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid::MLS000923796::SMR000620081::cid_1637842
SMILES: OS(=O)(=O)CCN1C(=S)S\C(C1=O)=C1/C(=O)N(CC(=O)Nc2cccc(Br)c2)c2ccccc12
InChI Key: InChIKey=IQWKHNPYLCUEJX-ZCXUNETKSA-N
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.92E+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 | |||||||||||||
MKP-3 (Rattus norvegicus) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanford-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/Q2W66J6B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 9.59E+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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
C-C chemokine receptor type 6 (CCR6) (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.96E+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, CA... | PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q20P0XHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J67FCM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcl-2-like protein 1 (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.09E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2DF6PNW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-galactosidase (Escherichia coli) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >6.66E+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 (2011) BindingDB Entry DOI: 10.7270/Q2NG4P4X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity protein phosphatase (VHR) (Homo sapiens (Human)) | BDBM51789 (2-[(5Z)-5-[1-[2-(3-bromoanilino)-2-keto-ethyl]-2-k...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.65E+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/Q2445JXV | |||||||||||
More data for this Ligand-Target Pair |