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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'snapper' and Initial = 'ml'   
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
Adenosylhomocysteinase


(Rattus norvegicus)
BDBM50316222
PNG
(CHEMBL1095280 | D-ERITADENINE | eritadenine)
Show SMILES Nc1ncnc2n(C[C@@H](O)[C@@H](O)C(O)=O)cnc12 |r|
Show InChI InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase in intact rat hepatocytes


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50316223
PNG
(3-(6-Amino-purin-9-ylmethyl)-5-cyclohexylmethoxy-b...)
Show SMILES Nc1ncnc2n(Cc3cc(OCC4CCCCC4)cc(O)c3O)cnc12
Show InChI InChI=1S/C19H23N5O3/c20-18-16-19(22-10-21-18)24(11-23-16)8-13-6-14(7-15(25)17(13)26)27-9-12-4-2-1-3-5-12/h6-7,10-12,25-26H,1-5,8-9H2,(H2,20,21,22)
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n/an/a 400n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50006222
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|
Show InChI InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50240866
PNG
((-)-ilimaquinone | 2-Hydroxy-5-methoxy-3-((1R,2S,4...)
Show SMILES COC1=CC(=O)C(=O)C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O |r,t:2|
Show InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14-15,18H,1,6-10,12H2,2-5H3/t14-,15?,18+,21+,22+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50316224
PNG
((2R,4aS,5R,6S,8aS)-5-((2-chloro-5-methoxy-3,6-diox...)
Show SMILES COC1=CC(=O)C(Cl)=C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CC[C@@H](OC(=O)CCCCCNC(=O)OC(C)(C)C)C3=C)C1=O |r,t:2,7|
Show InChI InChI=1S/C33H48ClNO7/c1-20-15-16-32(6)21(2)24(41-27(37)12-10-9-11-17-35-30(39)42-31(3,4)5)13-14-26(32)33(20,7)19-22-28(34)23(36)18-25(40-8)29(22)38/h18,20,24,26H,2,9-17,19H2,1,3-8H3,(H,35,39)/t20-,24+,26+,32+,33+/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of S-adenosyl-L-homocysteine hydrolase after 10 mins by scintillation counting


Bioorg Med Chem 17: 6707-14 (2009)


Article DOI: 10.1016/j.bmc.2009.07.061
BindingDB Entry DOI: 10.7270/Q2JD4X0D
More data for this
Ligand-Target Pair