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PubMed code 17113289

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50198780
PNG
(4-(3-((S)-1-((S)-2-((S)-5-amino-1-(benzylamino)-1,...)
Show SMILES CC(C)C[C@H](NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C32H42N5O9P/c1-21(2)19-26(35-29(39)17-12-22-10-13-24(14-11-22)46-47(43,44)45)32(42)37-18-6-9-27(37)31(41)36-25(15-16-28(33)38)30(40)34-20-23-7-4-3-5-8-23/h3-5,7-8,10-14,17,21,25-27H,6,9,15-16,18-20H2,1-2H3,(H2,33,38)(H,34,40)(H,35,39)(H,36,41)(H2,43,44,45)/b17-12+/t25-,26-,27-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Inhibition of Stat3


Bioorg Med Chem Lett 17: 654-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.099
BindingDB Entry DOI: 10.7270/Q2K93758
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50198778
PNG
((S)-3-(benzylamino)-2-((S)-1-((S)-4-methyl-2-(3-(4...)
Show SMILES CC(C)C[C@H](NC(=O)C=Cc1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](COC(N)=O)C(=O)NCc1ccccc1 |w:8.7|
Show InChI InChI=1S/C31H40N5O10P/c1-20(2)17-24(34-27(37)15-12-21-10-13-23(14-11-21)46-47(42,43)44)30(40)36-16-6-9-26(36)29(39)35-25(19-45-31(32)41)28(38)33-18-22-7-4-3-5-8-22/h3-5,7-8,10-15,20,24-26H,6,9,16-19H2,1-2H3,(H2,32,41)(H,33,38)(H,34,37)(H,35,39)(H2,42,43,44)/t24-,25-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 379n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Inhibition of Stat3


Bioorg Med Chem Lett 17: 654-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.099
BindingDB Entry DOI: 10.7270/Q2K93758
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50198779
PNG
((2R,3S)-4-(benzylamino)-3-((S)-1-((S)-4-methyl-2-(...)
Show SMILES CC(C)C[C@H](NC(=O)C=Cc1ccc(OP(O)(O)=O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(N)=O)C(=O)NCc1ccccc1 |w:8.7|
Show InChI InChI=1S/C32H42N5O10P/c1-20(2)18-25(35-27(38)16-13-22-11-14-24(15-12-22)47-48(43,44)45)31(41)37-17-7-10-26(37)29(39)36-28(21(3)46-32(33)42)30(40)34-19-23-8-5-4-6-9-23/h4-6,8-9,11-16,20-21,25-26,28H,7,10,17-19H2,1-3H3,(H2,33,42)(H,34,40)(H,35,38)(H,36,39)(H2,43,44,45)/t21-,25+,26+,28+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



The University of Texas

Curated by ChEMBL


Assay Description
Inhibition of Stat3


Bioorg Med Chem Lett 17: 654-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.099
BindingDB Entry DOI: 10.7270/Q2K93758
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%