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19 similar compounds to monomer 50233990

Compile data set for download or QSAR
Wt: 392.4
BDBM50204485
Wt: 378.4
BDBM50204516
Wt: 398.4
BDBM50233957
Wt: 513.6
BDBM50234023
Wt: 304.6
BDBM50234016
Wt: 309.3
BDBM50234024
Wt: 485.8
BDBM50233991
Wt: 1078.1
BDBM50233955
Wt: 567.5
BDBM50233986
Wt: 562.9
BDBM50233995
Wt: 483.5
BDBM50233958
Wt: 576.9
BDBM50233994
Wt: 321.5
BDBM50233996
Wt: 428.3
BDBM50234014
Wt: 640.0
BDBM50233992
Displayed 1 to 15 (of 19 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50204485,50204516,50233957,50234023,50234016,50234024,50233991,50233955,50233986,50233995,50233958,50233994,50233996,50234014,50233992   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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8n/an/an/an/an/an/a9.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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8n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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10.3n/an/an/an/an/an/a7.4n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 7.4


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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10.4n/an/an/an/an/an/a7.5n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 7.5


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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14.5n/an/an/an/an/an/a8.0n/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli at pH 8.0


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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20n/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
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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20n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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20n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50233957
PNG
(6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picol...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
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22n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50233957
PNG
(6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picol...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
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22n/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


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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26n/an/an/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in african green monkey COS7 cells


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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26n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human FAAH expressed in COS7 cells 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
3D
3D Structure (crystal)
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50234023
PNG
(6-(2-(3-(4'-(thiomorpholinomethyl)biphenyl-4-yl)pr...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccc(CN2CCSCC2)cc1
Show InChI InChI=1S/C29H27N3O4S/c33-26(28-30-18-27(36-28)24-2-1-3-25(31-24)29(34)35)13-8-20-4-9-22(10-5-20)23-11-6-21(7-12-23)19-32-14-16-37-17-15-32/h1-7,9-12,18H,8,13-17,19H2,(H,34,35)
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28n/an/an/an/an/an/a9.0n/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin) at pH 9


Bioorg Med Chem Lett 18: 5847-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.086
BindingDB Entry DOI: 10.7270/Q2GF0TBV
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50234023
PNG
(6-(2-(3-(4'-(thiomorpholinomethyl)biphenyl-4-yl)pr...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccc(CN2CCSCC2)cc1
Show InChI InChI=1S/C29H27N3O4S/c33-26(28-30-18-27(36-28)24-2-1-3-25(31-24)29(34)35)13-8-20-4-9-22(10-5-20)23-11-6-21(7-12-23)19-32-14-16-37-17-15-32/h1-7,9-12,18H,8,13-17,19H2,(H,34,35)
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28n/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


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50233955
PNG
(CHEMBL4095441)
Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1
Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated fibronectin from recombinant human integrin alpha5beta1 dark incubated for 3 hrs by solid-phase receptor binding assay


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50233955
PNG
(CHEMBL4095441)
Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1
Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated vitronectin from recombinant human integrin alphaVbeta3 dark incubated for 3 hrs by solid-phase receptor binding assay


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
ITGA5/ITGB1


(Homo sapiens (Human))
BDBM50233958
PNG
(CHEMBL4087743)
Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2
Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of alpha5beta1 (unknown origin)


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
ITGAV/ITGB5


(Homo sapiens (Human))
BDBM50233958
PNG
(CHEMBL4087743)
Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2
Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1
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n/an/a 315n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated vitronectin from human integrin alphaVbeta5 measured after 3 hrs by solid-phase receptor binding assay


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50233958
PNG
(CHEMBL4087743)
Show SMILES NCCN1C[C@@H]2C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N2
Show InChI InChI=1S/C19H33N9O6/c20-3-5-28-9-10-6-13(28)18(34)27-11(2-1-4-23-19(21)22)16(32)24-8-14(29)26-12(7-15(30)31)17(33)25-10/h10-13H,1-9,20H2,(H,24,32)(H,25,33)(H,26,29)(H,27,34)(H,30,31)(H4,21,22,23)/t10-,11-,12-,13-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of biotinylated vitronectin from human integrin alphaVbeta3 measured after 3 hrs by solid-phase receptor binding assay


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
Dynamin-2


(Homo sapiens (Human))
BDBM50233996
PNG
(CHEMBL4073407)
Show SMILES CCCCCCCCCCNc1ccnc(NCCN(C)C)n1
Show InChI InChI=1S/C18H35N5/c1-4-5-6-7-8-9-10-11-13-19-17-12-14-20-18(22-17)21-15-16-23(2)3/h12,14H,4-11,13,15-16H2,1-3H3,(H2,19,20,21,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



The University of Newcastle

Curated by ChEMBL


Assay Description
Inhibition of dynamin 2 in human U2OS cells assessed as reduction in clathrin-mediated endocytosis by measuring transferrin-A594 uptake preincubated ...


J Med Chem 60: 349-361 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01422
BindingDB Entry DOI: 10.7270/Q27M0B6T
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234014
PNG
(CHEMBL4072039)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c4CN(COc4cc3C(=O)c2c1)c1ccc2ocnc2c1
Show InChI InChI=1S/C24H16N2O6/c1-11-4-13-20(17(27)5-11)24(30)21-14(22(13)28)7-19-15(23(21)29)8-26(10-32-19)12-2-3-18-16(6-12)25-9-31-18/h2-7,9,27,29H,8,10H2,1H3
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n/an/a 2.97E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
ATP-citrate synthase


(Homo sapiens (Human))
BDBM50234016
PNG
(CHEMBL4093300)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)c(Cl)c(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H9ClO5/c1-5-2-6-10(8(17)3-5)14(20)11-7(13(6)19)4-9(18)12(16)15(11)21/h2-4,17-18,21H,1H3
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n/an/a 1.26E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of ATP citrate lyase (unknown origin) using sodium citrate as substrate after 60 mins by ADP-Glo luminescence assay


Eur J Med Chem 126: 920-928 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.018
BindingDB Entry DOI: 10.7270/Q2028TSK
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50234024
PNG
(CHEMBL4097198)
Show SMILES Cc1ccccc1OC[C@H]1CCCN1c1ncnc2[nH]cnc12
Show InChI InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His tagged MetAP-2 using tripeptide Met-Ala-Ser as substrate preincubated for 15 mins followed by substrat...


Bioorg Med Chem Lett 27: 551-556 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.019
BindingDB Entry DOI: 10.7270/Q2V98BB4
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50233986
PNG
(CHEMBL4092679)
Show SMILES Nc1nc(O[C@H](c2ccc(cc2)-c2ccc3[nH]ncc3c2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C28H28F3N7O3/c29-28(30,31)24(17-3-1-16(2-4-17)18-5-6-20-19(11-18)14-34-37-20)41-23-12-22(35-26(32)36-23)38-9-7-27(8-10-38)13-21(25(39)40)33-15-27/h1-6,11-12,14,21,24,33H,7-10,13,15H2,(H,34,37)(H,39,40)(H2,32,35,36)/t21-,24+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50233991
PNG
(CHEMBL4060643)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C21H23ClF3N5O3/c22-13-3-1-12(2-4-13)17(21(23,24)25)33-16-9-15(28-19(26)29-16)30-7-5-20(6-8-30)10-14(18(31)32)27-11-20/h1-4,9,14,17,27H,5-8,10-11H2,(H,31,32)(H2,26,28,29)/t14-,17+/m0/s1
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n/an/a 460n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50233992
PNG
(CHEMBL4074718)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C28H29ClF3N5O5S/c1-43(40,41)18-5-2-16(3-6-18)20-12-17(29)4-7-19(20)24(28(30,31)32)42-23-13-22(35-26(33)36-23)37-10-8-27(9-11-37)14-21(25(38)39)34-15-27/h2-7,12-13,21,24,34H,8-11,14-15H2,1H3,(H,38,39)(H2,33,35,36)/t21-,24+/m0/s1
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n/an/a 885n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50233994
PNG
(CHEMBL4076761)
Show SMILES Cc1cccc(n1)-c1cc(Cl)ccc1[C@@H](Oc1cc(nc(N)n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1)C(F)(F)F
Show InChI InChI=1S/C27H28ClF3N6O3/c1-15-3-2-4-19(34-15)18-11-16(28)5-6-17(18)23(27(29,30)31)40-22-12-21(35-25(32)36-22)37-9-7-26(8-10-37)13-20(24(38)39)33-14-26/h2-6,11-12,20,23,33H,7-10,13-14H2,1H3,(H,38,39)(H2,32,35,36)/t20-,23+/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
ITGAV/ITGB3


(Homo sapiens (Human))
BDBM50233955
PNG
(CHEMBL4095441)
Show SMILES CCN(CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C)CCOCCOCCOCc1cn(CCCCN2C[C@@H]3C[C@H]2C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N3)nn1
Show InChI InChI=1S/C50H72FN15O11/c1-4-64(15-12-54-49(74)44-30(2)39(57-31(44)3)24-36-35-22-32(51)9-10-37(35)60-45(36)70)16-17-75-18-19-76-20-21-77-29-34-28-66(63-62-34)14-6-5-13-65-27-33-23-41(65)48(73)61-38(8-7-11-55-50(52)53)46(71)56-26-42(67)59-40(25-43(68)69)47(72)58-33/h9-10,22,24,28,33,38,40-41,57H,4-8,11-21,23,25-27,29H2,1-3H3,(H,54,74)(H,56,71)(H,58,72)(H,59,67)(H,60,70)(H,61,73)(H,68,69)(H4,52,53,55)/b36-24-/t33-,38-,40-,41-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Inhibition of vitronectin binding to alphaVbeta3 in human EPC in presence of MnCl2 measured after 30 mins by crystal violet staining based cell adhes...


J Med Chem 60: 248-262 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01266
BindingDB Entry DOI: 10.7270/Q2CC12ZK
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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n/an/a 100n/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
3D
3D Structure (crystal)
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Tryptophan 5-hydroxylase 1


(Homo sapiens (Human))
BDBM50233995
PNG
(CHEMBL4091280)
Show SMILES Nc1nc(O[C@H](c2ccc(Cl)cc2-c2cccnc2)C(F)(F)F)cc(n1)N1CCC2(CN[C@@H](C2)C(O)=O)CC1
Show InChI InChI=1S/C26H26ClF3N6O3/c27-16-3-4-17(18(10-16)15-2-1-7-32-13-15)22(26(28,29)30)39-21-11-20(34-24(31)35-21)36-8-5-25(6-9-36)12-19(23(37)38)33-14-25/h1-4,7,10-11,13,19,22,33H,5-6,8-9,12,14H2,(H,37,38)(H2,31,34,35)/t19-,22+/m0/s1
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n/an/a 65n/an/an/an/an/an/a



Karos Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TPH1 (unknown origin)


Bioorg Med Chem Lett 27: 413-419 (2017)


Article DOI: 10.1016/j.bmcl.2016.12.053
BindingDB Entry DOI: 10.7270/Q21V5H7S
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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n/an/a 2.40E+5n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 hydrolase


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of KIAA1363 hydrolase


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204485
PNG
(CHEMBL219880 | methyl 6-(2-(7-phenylheptanoyl)oxaz...)
Show SMILES COC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-28-23(27)19-14-9-13-18(25-19)21-16-24-22(29-21)20(26)15-8-3-2-5-10-17-11-6-4-7-12-17/h4,6-7,9,11-14,16H,2-3,5,8,10,15H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH expressed in Escherichia coli


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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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 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
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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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
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50233957
PNG
(6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picol...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
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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 TGH


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50233957
PNG
(6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picol...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
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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 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Neutral cholesterol ester hydrolase 1


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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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 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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n/an/a 100n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50233957
PNG
(6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picol...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant FAAH expressed in Escherichia coli


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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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 TGH


J Med Chem 51: 937-47 (2008)


Article DOI: 10.1021/jm701210y
BindingDB Entry DOI: 10.7270/Q2QV3NCP
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM50204516
PNG
(6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinic acid...)
Show SMILES OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of TGH


J Med Chem 51: 4392-403 (2008)


Article DOI: 10.1021/jm800136b
BindingDB Entry DOI: 10.7270/Q26D5TW3
More data for this
Ligand-Target Pair