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Compile Data Set for Download or QSAR

Found 44 hits of ic50 data for polymerid = 3116   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM26736
PNG
(CHEMBL509860 | LY2183240 | N,N-dimethyl-5-[(4-phen...)
Show SMILES CN(C)C(=O)n1nnnc1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 8.20n/an/an/an/a7.422



The Scripps Research Institute



Assay Description
Serine hydrolase targets were recombinantly expressed in COS-7 cells by transient transfection. IC50 values were obtained by competitive ABPP with F...


J Am Chem Soc 128: 9699-704 (2006)


Article DOI: 10.1021/ja062999h
BindingDB Entry DOI: 10.7270/Q20K26VX
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012169
PNG
(CHEMBL3264473)
Show SMILES O=C([C@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012171
PNG
(CHEMBL3264474)
Show SMILES O=C([C@@H]1COc2cc(Oc3ccccc3)ccc2C1)c1ncc(o1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-14-22(30-24)20-8-4-5-11-25-20)17-12-16-9-10-19(13-21(16)28-15-17)29-18-6-2-1-3-7-18/h1-11,13-14,17H,12,15H2/t17-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448892
PNG
(CHEMBL3125288)
Show SMILES CS(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:3.2|
Show InChI InChI=1S/C24H26N2O3S/c1-30(28)16-15-20-13-14-21(25-17-20)23-18-26-24(29-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448893
PNG
(CHEMBL3125287)
Show SMILES CS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:4.3|
Show InChI InChI=1S/C24H26N2O4S/c1-31(28,29)16-15-20-13-14-21(25-17-20)23-18-26-24(30-23)22(27)12-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-11,13-18H,2-3,5,8-9,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448894
PNG
(CHEMBL3125313)
Show SMILES CCOS(=O)(=O)C=Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1 |w:6.5|
Show InChI InChI=1S/C25H28N2O5S/c1-2-31-33(29,30)17-16-21-14-15-22(26-18-21)24-19-27-25(32-24)23(28)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-19H,2-4,6,9-10,13H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448895
PNG
(CHEMBL3125310)
Show SMILES COC(=N)Cc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C24H27N3O3/c1-29-23(25)15-19-13-14-20(26-16-19)22-17-27-24(30-22)21(28)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-14,16-17,25H,2-3,5,8-9,12,15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50448897
PNG
(CHEMBL3125304)
Show SMILES BrCc1ccc(nc1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H23BrN2O2/c23-14-18-12-13-19(24-15-18)21-16-25-22(27-21)20(26)11-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-10,12-13,15-16H,1-2,4,7-8,11,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052790
PNG
(CHEMBL3318589)
Show SMILES Cc1cnn(c1)C(=O)N1CCCCC1
Show InChI InChI=1S/C10H15N3O/c1-9-7-11-13(8-9)10(14)12-5-3-2-4-6-12/h7-8H,2-6H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505179
PNG
(CHEMBL4462931)
Show SMILES CN(CCN(C)C(=O)n1cccn1)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H26N4O2/c1-24(14-15-25(2)22(27)26-13-7-12-23-26)17-20-10-6-11-21(16-20)28-18-19-8-4-3-5-9-19/h3-13,16H,14-15,17-18H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505197
PNG
(CHEMBL4555046)
Show SMILES O=C(N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1
Show InChI InChI=1S/C23H26N4O2/c28-23(27-15-4-12-24-27)26-14-5-13-25(16-17-26)18-20-8-10-22(11-9-20)29-19-21-6-2-1-3-7-21/h1-4,6-12,15H,5,13-14,16-19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50012157
PNG
(CHEMBL3264462)
Show SMILES O=C(C1CCc2cc(Oc3ccccc3)ccc2O1)c1ncc(o1)-c1ccccn1
Show InChI InChI=1S/C24H18N2O4/c27-23(24-26-15-22(30-24)19-8-4-5-13-25-19)21-11-9-16-14-18(10-12-20(16)29-21)28-17-6-2-1-3-7-17/h1-8,10,12-15,21H,9,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of mouse brain KIAA1363 incubated for 10 mins prior to rhodamine-tagged fluorophosphonate addition measured after 10 mins by SDS-PAGE


Bioorg Med Chem 22: 2763-70 (2014)


Article DOI: 10.1016/j.bmc.2014.03.013
BindingDB Entry DOI: 10.7270/Q2X92CVM
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505200
PNG
(CHEMBL4446082)
Show SMILES O=C(N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)n1cccn1
Show InChI InChI=1S/C35H34N4O3/c40-35(39-21-7-20-36-39)38-24-22-37(23-25-38)34(30-12-16-32(17-13-30)41-26-28-8-3-1-4-9-28)31-14-18-33(19-15-31)42-27-29-10-5-2-6-11-29/h1-21,34H,22-27H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505180
PNG
(CHEMBL4462665)
Show SMILES O=C(N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C24H25N5O2/c25-15-22-16-26-29(18-22)24(30)28-12-4-11-27(13-14-28)17-20-7-9-23(10-8-20)31-19-21-5-2-1-3-6-21/h1-3,5-10,16,18H,4,11-14,17,19H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505187
PNG
(CHEMBL3318666)
Show SMILES Cc1cnn(c1)C(=O)NCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H19N3O2/c1-15-11-21-22(13-15)19(23)20-12-16-7-9-18(10-8-16)24-14-17-5-3-2-4-6-17/h2-11,13H,12,14H2,1H3,(H,20,23)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505186
PNG
(CHEMBL3318665)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)n1cccn1
Show InChI InChI=1S/C18H17N3O2/c22-18(21-12-4-11-20-21)19-13-15-7-9-17(10-8-15)23-14-16-5-2-1-3-6-16/h1-12H,13-14H2,(H,19,22)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505195
PNG
(CHEMBL3318667)
Show SMILES O=C(NCc1ccc(OCc2ccccc2)cc1)n1cc(cn1)C#N
Show InChI InChI=1S/C19H16N4O2/c20-10-17-12-22-23(13-17)19(24)21-11-15-6-8-18(9-7-15)25-14-16-4-2-1-3-5-16/h1-9,12-13H,11,14H2,(H,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505182
PNG
(CHEMBL4449026)
Show SMILES Cc1cnn(c1)C(=O)N1CCCN(Cc2ccc(OCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C24H28N4O2/c1-20-16-25-28(17-20)24(29)27-13-5-12-26(14-15-27)18-21-8-10-23(11-9-21)30-19-22-6-3-2-4-7-22/h2-4,6-11,16-17H,5,12-15,18-19H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505196
PNG
(CHEMBL4459440)
Show SMILES CN(CCN(C)C(=O)n1cc(C)cn1)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)14-13-25(2)17-20-9-11-22(12-10-20)29-18-21-7-5-4-6-8-21/h4-12,15-16H,13-14,17-18H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052781
PNG
(CHEMBL3318603)
Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cccn1
Show InChI InChI=1S/C19H20N4O/c24-19(23-9-3-8-20-23)22-12-10-21(11-13-22)15-16-6-7-17-4-1-2-5-18(17)14-16/h1-9,14H,10-13,15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052766
PNG
(CHEMBL3318611)
Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1
Show InChI InChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505184
PNG
(CHEMBL4553954)
Show SMILES CN(CCN(C)C(=O)n1cccn1)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C22H26N4O2/c1-24(15-16-25(2)22(27)26-14-6-13-23-26)17-19-9-11-21(12-10-19)28-18-20-7-4-3-5-8-20/h3-14H,15-18H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052783
PNG
(CHEMBL3318605)
Show SMILES O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C20H19N5O/c21-12-17-13-22-25(15-17)20(26)24-9-7-23(8-10-24)14-16-5-6-18-3-1-2-4-19(18)11-16/h1-6,11,13,15H,7-10,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052768
PNG
(CHEMBL3318613)
Show SMILES O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cc(cn1)C#N
Show InChI InChI=1S/C23H23N5O2/c24-14-21-15-25-28(17-21)23(29)27-12-10-26(11-13-27)16-19-6-8-22(9-7-19)30-18-20-4-2-1-3-5-20/h1-9,15,17H,10-13,16,18H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505190
PNG
(CHEMBL4542355)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H25N5O2/c1-26(11-12-27(2)23(29)28-17-21(14-24)15-25-28)16-20-9-6-10-22(13-20)30-18-19-7-4-3-5-8-19/h3-10,13,15,17H,11-12,16,18H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505201
PNG
(CHEMBL4467076)
Show SMILES Cc1cnn(c1)C(=O)NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O2/c1-19-16-27-28(18-19)25(29)26-17-20-12-14-23(15-13-20)30-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-16,18,24H,17H2,1H3,(H,26,29)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505191
PNG
(CHEMBL4460519)
Show SMILES O=C(NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)n1cccn1
Show InChI InChI=1S/C24H21N3O2/c28-24(27-17-7-16-26-27)25-18-19-12-14-22(15-13-19)29-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-17,23H,18H2,(H,25,28)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505193
PNG
(CHEMBL4588296)
Show SMILES O=C(N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)n1cccn1
Show InChI InChI=1S/C29H26N4O/c34-29(33-15-5-14-30-33)32-18-16-31(17-19-32)28(26-12-10-22-6-1-3-8-24(22)20-26)27-13-11-23-7-2-4-9-25(23)21-27/h1-15,20-21,28H,16-19H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505181
PNG
(CHEMBL4559005)
Show SMILES O=C(N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1)n1cc(cn1)C#N
Show InChI InChI=1S/C30H25N5O/c31-19-22-20-32-35(21-22)30(36)34-15-13-33(14-16-34)29(27-11-9-23-5-1-3-7-25(23)17-27)28-12-10-24-6-2-4-8-26(24)18-28/h1-12,17-18,20-21,29H,13-16H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505199
PNG
(CHEMBL4457878)
Show SMILES Cc1cnn(c1)C(=O)N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H36N4O3/c1-28-24-37-40(25-28)36(41)39-22-20-38(21-23-39)35(31-12-16-33(17-13-31)42-26-29-8-4-2-5-9-29)32-14-18-34(19-15-32)43-27-30-10-6-3-7-11-30/h2-19,24-25,35H,20-23,26-27H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505194
PNG
(CHEMBL4437989)
Show SMILES O=C(N1CCN(CC1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1)n1cc(cn1)C#N
Show InChI InChI=1S/C36H33N5O3/c37-23-30-24-38-41(25-30)36(42)40-21-19-39(20-22-40)35(31-11-15-33(16-12-31)43-26-28-7-3-1-4-8-28)32-13-17-34(18-14-32)44-27-29-9-5-2-6-10-29/h1-18,24-25,35H,19-22,26-27H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052782
PNG
(CHEMBL3318604)
Show SMILES Cc1cnn(c1)C(=O)N1CCN(Cc2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C20H22N4O/c1-16-13-21-24(14-16)20(25)23-10-8-22(9-11-23)15-17-6-7-18-4-2-3-5-19(18)12-17/h2-7,12-14H,8-11,15H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505189
PNG
(CHEMBL4527008)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)Cc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H25N5O2/c1-26(12-13-27(2)23(29)28-17-21(14-24)15-25-28)16-19-8-10-22(11-9-19)30-18-20-6-4-3-5-7-20/h3-11,15,17H,12-13,16,18H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505192
PNG
(CHEMBL4584970)
Show SMILES Cc1cnn(c1)C(=O)N1CCN(CC1)C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C30H28N4O/c1-22-20-31-34(21-22)30(35)33-16-14-32(15-17-33)29(27-12-10-23-6-2-4-8-25(23)18-27)28-13-11-24-7-3-5-9-26(24)19-28/h2-13,18-21,29H,14-17H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052791
PNG
(CHEMBL3318588)
Show SMILES O=C(N1CCCCC1)n1cccn1
Show InChI InChI=1S/C9H13N3O/c13-9(12-8-4-5-10-12)11-6-2-1-3-7-11/h4-5,8H,1-3,6-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505198
PNG
(CHEMBL4532522)
Show SMILES O=C(NCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)n1cc(cn1)C#N
Show InChI InChI=1S/C25H20N4O2/c26-15-20-17-28-29(18-20)25(30)27-16-19-11-13-23(14-12-19)31-24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,17-18,24H,16H2,(H,27,30)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052767
PNG
(CHEMBL3318612)
Show SMILES Cc1cnn(c1)C(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
Show InChI InChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-13-11-25(12-14-26)17-20-7-9-22(10-8-20)29-18-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-18H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505188
PNG
(CHEMBL4581666)
Show SMILES CN(CCN(C)C(=O)n1cc(C)cn1)Cc1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H28N4O2/c1-19-15-24-27(16-19)23(28)26(3)13-12-25(2)17-21-10-7-11-22(14-21)29-18-20-8-5-4-6-9-20/h4-11,14-16H,12-13,17-18H2,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50052760
PNG
(CHEMBL3318590)
Show SMILES O=C(N1CCCCC1)n1cc(cn1)C#N
Show InChI InChI=1S/C10H12N4O/c11-6-9-7-12-14(8-9)10(15)13-4-2-1-3-5-13/h7-8H,1-5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505183
PNG
(CHEMBL4524362)
Show SMILES CN(CCN(C)C(=O)n1cc(cn1)C#N)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H35N5O3/c1-39(21-22-40(2)36(42)41-25-30(23-37)24-38-41)35(31-13-17-33(18-14-31)43-26-28-9-5-3-6-10-28)32-15-19-34(20-16-32)44-27-29-11-7-4-8-12-29/h3-20,24-25,35H,21-22,26-27H2,1-2H3
KEGG

UniProtKB/SwissProt

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PC cid
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UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505178
PNG
(CHEMBL4576073)
Show SMILES CN(CCN(C)C(=O)n1cccn1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C35H36N4O3/c1-37(24-25-38(2)35(40)39-23-9-22-36-39)34(30-14-18-32(19-15-30)41-26-28-10-5-3-6-11-28)31-16-20-33(21-17-31)42-27-29-12-7-4-8-13-29/h3-23,34H,24-27H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Mus musculus (mouse))
BDBM50505185
PNG
(CHEMBL4456685)
Show SMILES CN(CCN(C)C(=O)n1cc(C)cn1)C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C36H38N4O3/c1-28-24-37-40(25-28)36(41)39(3)23-22-38(2)35(31-14-18-33(19-15-31)42-26-29-10-6-4-7-11-29)32-16-20-34(21-17-32)43-27-30-12-8-5-9-13-30/h4-21,24-25,35H,22-23,26-27H2,1-3H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FP-rhodamine probe binding to KIAA1363 in mouse brain membrane proteome preincubated for 1 hr followed by FP-rhodamine addition and mea...


Bioorg Med Chem 27: 1693-1703 (2019)


Article DOI: 10.1016/j.bmc.2019.03.020
BindingDB Entry DOI: 10.7270/Q2RX9GCW
More data for this
Ligand-Target Pair