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BDBM24537 4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzoic acid::Oxindole scaffold, 10b

SMILES: CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1

InChI Key: InChIKey=ZEQXXXUTJHQJPV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 24537   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein-Tyrosine Phosphatase SHP-2


(Homo sapiens (Human))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1 |w:15.15|
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.022



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))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1 |w:15.15|
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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/an/a 9.30E+3n/an/an/an/an/an/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))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1 |w:15.15|
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.77E+4n/an/an/an/a7.022



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