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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Serine hydrolase RBBP9' AND taxid = 9606   
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
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314727
PNG
(1-(thiazol-2-yl)ethanone O-cyclohexanecarbonyl oxi...)
Show SMILES C\C(=N/OC(=O)C1CCCCC1)c1nccs1
Show InChI InChI=1S/C12H16N2O2S/c1-9(11-13-7-8-17-11)14-16-12(15)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3/b14-9+
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n/an/a 640n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314725
PNG
(4-(cinnamoyloxyimino)-2,6-dimethylcyclohexa-2,5-di...)
Show SMILES [#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#6]-1=O)=[#7]/[#8]-[#6](=O)\[#6]=[#6]\c1ccccc1 |t:1,4|
Show InChI InChI=1S/C17H15NO3/c1-12-10-15(11-13(2)17(12)20)18-21-16(19)9-8-14-6-4-3-5-7-14/h3-11H,1-2H3/b9-8+
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Article
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n/an/a 1.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314728
PNG
(4-(4-methoxybenzoyloxyimino)-2,6-dimethylcyclohexa...)
Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=O)-[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:20,t:14|
Show InChI InChI=1S/C16H15NO4/c1-10-8-13(9-11(2)15(10)18)17-21-16(19)12-4-6-14(20-3)7-5-12/h4-9H,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from recombinant RBBP9 transfected in mouse brain membrane proteomes after 30 mins by SDS-PAGE gel fluoresc...


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314729
PNG
(1-(thiazol-2-yl)ethanone O-4-chlorobenzoyl oxime |...)
Show SMILES C\C(=N/OC(=O)c1ccc(Cl)cc1)c1nccs1
Show InChI InChI=1S/C12H9ClN2O2S/c1-8(11-14-6-7-18-11)15-17-12(16)9-2-4-10(13)5-3-9/h2-7H,1H3/b15-8+
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314726
PNG
(1-(thiazol-2-yl)ethanone O-4-fluorobenzoyl oxime |...)
Show SMILES C\C(=N/OC(=O)c1ccc(F)cc1)c1nccs1
Show InChI InChI=1S/C12H9FN2O2S/c1-8(11-14-6-7-18-11)15-17-12(16)9-2-4-10(13)5-3-9/h2-7H,1H3/b15-8+
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n/an/a 5.70E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50216297
PNG
(6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r|
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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Article
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n/an/a 7.80E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair
Serine hydrolase RBBP9


(Homo sapiens (Human))
BDBM50314724
PNG
(1-(thiazol-2-yl)ethanone O-4-methoxybenzoyl oxime ...)
Show SMILES COc1ccc(cc1)C(=O)O\N=C(/C)c1nccs1
Show InChI InChI=1S/C13H12N2O3S/c1-9(12-14-7-8-19-12)15-18-13(16)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3/b15-9+
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Article
PubMed
n/an/a 9.20E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Displacement of fluorophosphate-rhodamine from RBBP9 transfected in human HEK293T cells proteomes after 30 mins by SDS-PAGE gel fluorescence assay


Bioorg Med Chem Lett 20: 2254-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.011
BindingDB Entry DOI: 10.7270/Q27D2V92
More data for this
Ligand-Target Pair