BDBM24552 4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl]methyl}sulfamoyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid::Oxindole scaffold, 10q
SMILES: OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)cc1
InChI Key: InChIKey=VAMIHNZRXGILMF-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein-Tyrosine Phosphatase SHP-2 (Homo sapiens (Human)) | BDBM24552 (4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Moffitt Cancer Center | Assay Description PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com... | J Med Chem 51: 4948-56 (2008) Article DOI: 10.1021/jm8002526 BindingDB Entry DOI: 10.7270/Q2XD0ZZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM24552 (4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center | Assay Description PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com... | J Med Chem 51: 4948-56 (2008) Article DOI: 10.1021/jm8002526 BindingDB Entry DOI: 10.7270/Q2XD0ZZ8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-Tyrosine Phosphatase SHP-1 (Homo sapiens (Human)) | BDBM24552 (4-{2-[(3Z)-5-({[4-chloro-3-(trifluoromethyl)phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Moffitt Cancer Center | Assay Description PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com... | J Med Chem 51: 4948-56 (2008) Article DOI: 10.1021/jm8002526 BindingDB Entry DOI: 10.7270/Q2XD0ZZ8 | |||||||||||
More data for this Ligand-Target Pair |