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5 similar compounds to monomer 50204544

Compile data set for download or QSAR
Wt: 368.4
BDBM50204524
Wt: 339.3
BDBM50204498
Wt: 380.4
BDBM50204538
Wt: 364.4
BDBM50204552
Wt: 336.4
BDBM50204484

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50204524,50204498,50204538,50204552,50204484   
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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204524
PNG
(7-phenyl-1-(5-(piperidine-1-carbonyl)oxazol-2-yl)h...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28N2O3/c25-19(14-8-2-1-5-11-18-12-6-3-7-13-18)21-23-17-20(27-21)22(26)24-15-9-4-10-16-24/h3,6-7,12-13,17H,1-2,4-5,8-11,14-16H2
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PubMed
8n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204524
PNG
(7-phenyl-1-(5-(piperidine-1-carbonyl)oxazol-2-yl)h...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28N2O3/c25-19(14-8-2-1-5-11-18-12-6-3-7-13-18)21-23-17-20(27-21)22(26)24-15-9-4-10-16-24/h3,6-7,12-13,17H,1-2,4-5,8-11,14-16H2
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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 KIAA1363


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204524
PNG
(7-phenyl-1-(5-(piperidine-1-carbonyl)oxazol-2-yl)h...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28N2O3/c25-19(14-8-2-1-5-11-18-12-6-3-7-13-18)21-23-17-20(27-21)22(26)24-15-9-4-10-16-24/h3,6-7,12-13,17H,1-2,4-5,8-11,14-16H2
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n/an/a 450n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamide breakdown


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H28N2O3/c1-26-21-10-6-19(7-11-21)5-3-4-16-28-23(17-25-15-14-24-18-25)20-8-12-22(27-2)13-9-20/h6-15,18,23H,3-5,16-17H2,1-2H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction of SERCA inhibition-induced ER release preincu...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 2


(Chlorocebus aethiops)
BDBM50204552
PNG
(CHEMBL3959948)
Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha


(Homo sapiens (Human))
BDBM50204484
PNG
(CHEMBL3908512)
Show SMILES OCc1ccc(s1)-c1nc(-c2ccccc2CO)c2ccccn12
Show InChI InChI=1S/C19H16N2O2S/c22-11-13-5-1-2-6-15(13)18-16-7-3-4-10-21(16)19(20-18)17-9-8-14(12-23)24-17/h1-10,22-23H,11-12H2
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n/an/a 9.40E+3n/an/an/an/an/an/a



Tokyo Institute of Innovative Research

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activity in human HeLa cells measured after 12 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 5887-5890 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.009
BindingDB Entry DOI: 10.7270/Q2X350G6
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50204498
PNG
(CHEMBL3902620)
Show SMILES CCN(C)C(=O)Oc1ccc(cc1)C(=O)\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C20H21NO4/c1-4-21(2)20(23)25-18-12-8-16(9-13-18)19(22)14-7-15-5-10-17(24-3)11-6-15/h5-14H,4H2,1-3H3/b14-7+
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n/an/a 7.36E+3n/an/an/an/an/an/a



South China University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE using S-Butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's met...


Bioorg Med Chem 25: 360-371 (2017)


Article DOI: 10.1016/j.bmc.2016.11.002
BindingDB Entry DOI: 10.7270/Q2NK3H15
More data for this
Ligand-Target Pair
Calcium release-activated calcium channel


(Homo sapiens (Human))
BDBM50204538
PNG
(CHEMBL3913392)
Show SMILES COc1ccc(CCCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H28N2O3/c1-26-21-10-6-19(7-11-21)5-3-4-16-28-23(17-25-15-14-24-18-25)20-8-12-22(27-2)13-9-20/h6-15,18,23H,3-5,16-17H2,1-2H3
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n/an/a 6.70E+4n/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Orai1-mediated store operated Ca2+ entry in human MDA-MB-231 cells assessed as reduction in BAPTA-induced Ca2+ depletion-stimulated SOC...


Bioorg Med Chem 25: 440-449 (2017)


Article DOI: 10.1016/j.bmc.2016.11.007
BindingDB Entry DOI: 10.7270/Q2HT2R9F
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204524
PNG
(7-phenyl-1-(5-(piperidine-1-carbonyl)oxazol-2-yl)h...)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H28N2O3/c25-19(14-8-2-1-5-11-18-12-6-3-7-13-18)21-23-17-20(27-21)22(26)24-15-9-4-10-16-24/h3,6-7,12-13,17H,1-2,4-5,8-11,14-16H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 50: 1058-68 (2007)


Article DOI: 10.1021/jm0611509
BindingDB Entry DOI: 10.7270/Q26H4J6G
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50204552
PNG
(CHEMBL3959948)
Show SMILES CCC[C@@H]1C\C(C[C@@]2(O1)C(=O)Nc1ccccc21)=N\OCc1ccccc1
Show InChI InChI=1S/C22H24N2O3/c1-2-8-18-13-17(24-26-15-16-9-4-3-5-10-16)14-22(27-18)19-11-6-7-12-20(19)23-21(22)25/h3-7,9-12,18H,2,8,13-15H2,1H3,(H,23,25)/b24-17-/t18-,22+/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair