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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Synapsin-1' AND taxid = 9913   
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
Synapsin-1


(Bos taurus)
BDBM23408
PNG
(2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-4H-ch...)
Show SMILES Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H
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Article
PubMed
n/an/a 150n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay


J Med Chem 59: 4121-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00078
BindingDB Entry DOI: 10.7270/Q2XD13MT
More data for this
Ligand-Target Pair
Synapsin-1


(Bos taurus)
BDBM50180856
PNG
(CHEMBL3818384)
Show SMILES OC(=O)CN1C(=O)c2c(C1=O)c(I)c(I)c(I)c2I
Show InChI InChI=1S/C10H3I4NO4/c11-5-3-4(6(12)8(14)7(5)13)10(19)15(9(3)18)1-2(16)17/h1H2,(H,16,17)
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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay


J Med Chem 59: 4121-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00078
BindingDB Entry DOI: 10.7270/Q2XD13MT
More data for this
Ligand-Target Pair
Synapsin-1


(Bos taurus)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain synapsin-1 incubated for 1 hr by ATP-[gamma35S] binding assay


J Med Chem 59: 4121-51 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00078
BindingDB Entry DOI: 10.7270/Q2XD13MT
More data for this
Ligand-Target Pair