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PubMed code 19527032

Compile data set for download or QSAR
Found 5 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
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50293841
PNG
(3-((3,5-dimethylisoxazol-4-yl)methoxy)-N-(4-methyl...)
Show SMILES Cc1noc(C)c1COc1cccc(c1)C(=O)Nc1ccc(C)c(c1)S(C)(=O)=O
Show InChI InChI=1S/C21H22N2O5S/c1-13-8-9-17(11-20(13)29(4,25)26)22-21(24)16-6-5-7-18(10-16)27-12-19-14(2)23-28-15(19)3/h5-11H,12H2,1-4H3,(H,22,24)
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UniChem
Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA


J Med Chem 52: 4087-90 (2009)


Article DOI: 10.1021/jm8015987
BindingDB Entry DOI: 10.7270/Q23T9H81
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50293840
PNG
(CHEMBL562095 | N-(4-methoxy-3-(piperidin-1-ylsulfo...)
Show SMILES COc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H22N4O4S/c1-28-17-10-9-14(13-18(17)29(26,27)24-11-5-2-6-12-24)21-20(25)19-15-7-3-4-8-16(15)22-23-19/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,25)(H,22,23)
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Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA


J Med Chem 52: 4087-90 (2009)


Article DOI: 10.1021/jm8015987
BindingDB Entry DOI: 10.7270/Q23T9H81
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50293842
PNG
(1-(4-morpholinophenylamino)-1-oxopropan-2-yl 1-hyd...)
Show SMILES CC(OC(=O)c1ccc2ccccc2c1O)C(=O)Nc1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C24H24N2O5/c1-16(31-24(29)21-11-6-17-4-2-3-5-20(17)22(21)27)23(28)25-18-7-9-19(10-8-18)26-12-14-30-15-13-26/h2-11,16,27H,12-15H2,1H3,(H,25,28)
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PubMed
n/an/a 2.83E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA


J Med Chem 52: 4087-90 (2009)


Article DOI: 10.1021/jm8015987
BindingDB Entry DOI: 10.7270/Q23T9H81
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50293843
PNG
(1,8-diamino-6-methoxy-3-(4-(2-methoxyphenyl)pipera...)
Show SMILES COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C21H23N7O2/c1-29-16-6-4-3-5-15(16)27-7-9-28(10-8-27)21-14(12-22)13-11-17(30-2)25-19(23)18(13)20(24)26-21/h3-6,11H,7-10H2,1-2H3,(H2,23,25)(H2,24,26)
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Article
PubMed
n/an/a 4.61E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA


J Med Chem 52: 4087-90 (2009)


Article DOI: 10.1021/jm8015987
BindingDB Entry DOI: 10.7270/Q23T9H81
More data for this
Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1


(Homo sapiens (Human))
BDBM50293839
PNG
(2-(4-fluoro-3-nitrophenylamino)-N-(4-morpholinophe...)
Show SMILES [O-][N+](=O)c1cc(NCC(=O)Nc2ccc(cc2)N2CCOCC2)ccc1F
Show InChI InChI=1S/C18H19FN4O4/c19-16-6-3-14(11-17(16)23(25)26)20-12-18(24)21-13-1-4-15(5-2-13)22-7-9-27-10-8-22/h1-6,11,20H,7-10,12H2,(H,21,24)
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n/an/a 5.72E+4n/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB-stimulated Rac1 activity in human aortic smooth muscle cells assessed as reduction of Rac1GTP level after 4 hrs by G-LISA


J Med Chem 52: 4087-90 (2009)


Article DOI: 10.1021/jm8015987
BindingDB Entry DOI: 10.7270/Q23T9H81
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%