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BDBM50440968 CHEMBL2431964::US10196373, Compound SH3-077

SMILES: Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(Cl)c1

InChI Key: InChIKey=PIPJKDJHMBBLJP-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50440968   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440968
PNG
(CHEMBL2431964 | US10196373, Compound SH3-077)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C36H37ClN2O6S/c1-25-10-17-32(18-11-25)46(44,45)38(22-27-6-5-9-30(37)20-27)24-35(41)39(31-16-19-33(36(42)43)34(40)21-31)23-26-12-14-29(15-13-26)28-7-3-2-4-8-28/h5-6,9-21,28,40H,2-4,7-8,22-24H2,1H3,(H,42,43)
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PC cid
PC sid
UniChem

Similars

US Patent
3.00E+3n/an/an/an/an/an/an/an/a



THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO

US Patent


Assay Description
ChIP assay was performed using EZ ChIP Kit (Millipore, Billerica, Mass., USA) as per manufacturer's instruction. Briefly, after crosslinking with...


US Patent US10196373 (2019)


BindingDB Entry DOI: 10.7270/Q27083HS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50440968
PNG
(CHEMBL2431964 | US10196373, Compound SH3-077)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1cccc(Cl)c1
Show InChI InChI=1S/C36H37ClN2O6S/c1-25-10-17-32(18-11-25)46(44,45)38(22-27-6-5-9-30(37)20-27)24-35(41)39(31-16-19-33(36(42)43)34(40)21-31)23-26-12-14-29(15-13-26)28-7-3-2-4-8-28/h5-6,9-21,28,40H,2-4,7-8,22-24H2,1H3,(H,42,43)
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Competitive binding affinity to Stat3 SH2 domain (unknown origin) using 5-FAM-GpYLPQTV-NH2 as probe assessed as phosphopetide complex formation after...


J Med Chem 56: 7190-200 (2013)


Article DOI: 10.1021/jm3017255
BindingDB Entry DOI: 10.7270/Q24F1S6X
More data for this
Ligand-Target Pair