Found 14 hits for monomerid = 180052 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Anandamide amidohydrolase
(Mus musculus (mouse)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | 37 |
The Scripps Research Institute; Abide Therapeutics, Inc.
US Patent
| Assay Description Proteomes (mouse brain membrane fraction or cell lysates) (50 uL, 1.0 mg/mL total protein concentration) were preincubated with varying concentration... |
US Patent US9133148 (2015)
BindingDB Entry DOI: 10.7270/Q2TT4PR0 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2C19 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of MGLL in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Monoglyceride lipase
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of MGLL derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2C9 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP3A4 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
LDL-associated phospholipase A2
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of PLA2G7 in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Monoacylglycerol lipase ABHD6
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 253 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of ABHD6 in human intact PC3 cells preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
LDL-associated phospholipase A2
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of PLA2G7 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Monoglyceride Lipase (MGL)
(Mus musculus (mouse)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of MGLL derived from mouse brain homogenates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Monoacylglycerol lipase ABHD6
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of ABHD6 derived from human PC3 cell lysates preincubated for 30 mins followed by JW912 addition after 30 mins by gel-based ABPP assay |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A5 (CYP3A5)
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP3A5 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1A2 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM180052
(US9133148, 9aq)Show SMILES FC(F)(F)C(OC(=O)N1CCN(Cc2ccc(cc2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F Show InChI InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abide Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP2D6 |
J Med Chem 61: 9062-9084 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00951 |
More data for this Ligand-Target Pair | |