Found 454 hits with Last Name = 'moore' and Initial = 'f' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50241083
(6-(4-chlorophenyl)-3-(3-methoxy-4-(2-(pyrrolidin-1...)Show SMILES COc1cc(ccc1OCCN1CCCC1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O3S/c1-31-22-14-19(8-9-21(22)32-13-12-28-10-2-3-11-28)29-16-27-20-15-23(33-24(20)25(29)30)17-4-6-18(26)7-5-17/h4-9,14-16H,2-3,10-13H2,1H3 | Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat MCHR1 |
Bioorg Med Chem Lett 25: 2793-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053 |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50094880
(CHEMBL3589145)Show SMILES CN[C@H]1CCN(C1)c1ccc(cn1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C21H21ClN6O/c1-23-16-8-9-26(13-16)19-7-6-18(10-24-19)27-11-14-12-28(25-20(14)21(27)29)17-4-2-15(22)3-5-17/h2-7,10,12,16,23H,8-9,11,13H2,1H3/t16-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat MCHR1 |
Bioorg Med Chem Lett 25: 2793-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053 |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Newt) | BDBM21244
(2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...)Show SMILES CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1 Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1 | PDB
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| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by PDSP Ki Database
| |
J Neurochem 75: 413-23 (2000)
Article DOI: 10.1046/j.1471-4159.2000.0750413.x BindingDB Entry DOI: 10.7270/Q26W98NP |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50094885
(CHEMBL3588863)Show SMILES COc1cc(ccc1OCC(C)(C)OC(=O)CN)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN4O5/c1-24(2,34-21(30)11-26)14-33-19-9-8-18(10-20(19)32-3)28-12-15-13-29(27-22(15)23(28)31)17-6-4-16(25)5-7-17/h4-10,13H,11-12,14,26H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat MCHR1 assessed as 2-(4-chlorophenyl)-5-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(... |
Bioorg Med Chem Lett 25: 2793-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Melanin-concentrating hormone receptor 1
(RAT) | BDBM50094881
(CHEMBL3589155)Show SMILES COc1cc(ccc1OCC(C)(C)OC(=O)CN)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClN3O5S/c1-25(2,34-22(30)12-27)13-33-19-9-8-17(10-20(19)32-3)29-14-28-18-11-21(35-23(18)24(29)31)15-4-6-16(26)7-5-15/h4-11,14H,12-13,27H2,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Antagonist activity at rat MCHR1 assessed as 6-(4-chlorophenyl)-3-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4(3H)-one |
Bioorg Med Chem Lett 25: 2793-9 (2015)
Article DOI: 10.1016/j.bmcl.2015.05.008 BindingDB Entry DOI: 10.7270/Q29C7053 |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cannabinoid receptor 1
(Newt) | BDBM84888
(CAS_107822 | CAS_71048-87-8 | Levonantradol | NSC_...)Show SMILES CC(CCCc1ccccc1)Oc1cc2NC(C)C3CCC(O)CC3c2c(OC(C)=O)c1 Show InChI InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3 | PDB
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| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by PDSP Ki Database
| |
J Neurochem 75: 413-23 (2000)
Article DOI: 10.1046/j.1471-4159.2000.0750413.x BindingDB Entry DOI: 10.7270/Q26W98NP |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Newt) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
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| Article PubMed
| 25.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by PDSP Ki Database
| |
J Neurochem 75: 413-23 (2000)
Article DOI: 10.1046/j.1471-4159.2000.0750413.x BindingDB Entry DOI: 10.7270/Q26W98NP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM10624
(1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-on...)Show SMILES C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1 Show InChI InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50339942
(1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...)Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Cannabinoid receptor 1
(Newt) | BDBM85675
(Anandamide + PMSF | CHEMBL321585)Show InChI InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h6-7,9-10,12-13,15-16,26H,2-5,8,11,14,17-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15- | PDB
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| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Oregon State University
Curated by PDSP Ki Database
| |
J Neurochem 75: 413-23 (2000)
Article DOI: 10.1046/j.1471-4159.2000.0750413.x BindingDB Entry DOI: 10.7270/Q26W98NP |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM120262
(EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...)Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| DrugBank Article PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50339942
(1,1'-(naphthalene-2,7-diylbis(methylene))diquinoli...)Show SMILES C(c1ccc2ccc(C[n+]3cccc4ccccc34)cc2c1)[n+]1cccc2ccccc12 Show InChI InChI=1S/C30H24N2/c1-3-11-29-26(7-1)9-5-17-31(29)21-23-13-15-25-16-14-24(20-28(25)19-23)22-32-18-6-10-27-8-2-4-12-30(27)32/h1-20H,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM8958
(10-(2-diethylaminopropyl)phenothiazine | CHEMBL120...)Show InChI InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 1.21E+7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocytes recombinant AChE assessed as dissociation constant for enzyme-inhibitor-substrate complex |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Stanniocalcin-1
(Mus musculus) | BDBM201239
(US9187424, 6-2)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse STC1 in cell based assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Stanniocalcin-1
(Homo sapiens) | BDBM201239
(US9187424, 6-2)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1 | MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human STC1 in cell based assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50262988
(CHEMBL1200541 | N-(2-chlorobenzyl)-2-(2-(2-((2-chl...)Show SMILES CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl Show InChI InChI=1S/C28H40Cl2N4O2/c1-5-33(6-2,21-23-13-9-11-15-25(23)29)19-17-31-27(35)28(36)32-18-20-34(7-3,8-4)22-24-14-10-12-16-26(24)30/h9-16H,5-8,17-22H2,1-4H3/p+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50119797
(1,1'-(decane-1,10-diyl)diquinolinium iodide | 1,10...)Show SMILES C(CCCCC[n+]1cccc2ccccc12)CCCC[n+]1cccc2ccccc12 Show InChI InChI=1S/C28H34N2/c1(3-5-11-21-29-23-13-17-25-15-7-9-19-27(25)29)2-4-6-12-22-30-24-14-18-26-16-8-10-20-28(26)30/h7-10,13-20,23-24H,1-6,11-12,21-22H2/q+2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University
Curated by ChEMBL
| Assay Description Inhibition of human erythrocyte recombinant AChE by modified Ellman's method |
Bioorg Med Chem Lett 21: 2505-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.047 BindingDB Entry DOI: 10.7270/Q2JW8F6N |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50229040
(CHEMBL156140)Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C22H17N3O4/c1-29-21(27)16-9-5-10-17(13-16)25-19-18(11-6-12-23-19)20(26)24(22(25)28)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain |
J Med Chem 34: 624-8 (1991)
BindingDB Entry DOI: 10.7270/Q2WD42SG |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579517
(CHEMBL4847167)Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC2CCCC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM50579517
(CHEMBL4847167)Show SMILES Cc1ccc(cc1)C1=C(C(=O)NC2CCCC2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM201239
(US9187424, 6-2)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM201301
(US9187424, 65 | US9187424, 77)Show SMILES COc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:9| Show InChI InChI=1S/C24H20F6N2O3/c1-34-17-7-3-15(4-8-17)19-13-22(24(28,29)30,32-21(33)20(19)14-31)16-5-9-18(10-6-16)35-12-2-11-23(25,26)27/h3-10H,2,11-13H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50229041
(CHEMBL351567)Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CCCC2)c1=O Show InChI InChI=1S/C21H21N3O4/c1-28-20(26)15-8-4-9-16(12-15)24-18-17(10-5-11-22-18)19(25)23(21(24)27)13-14-6-2-3-7-14/h4-5,8-12,14H,2-3,6-7,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain |
J Med Chem 34: 624-8 (1991)
BindingDB Entry DOI: 10.7270/Q2WD42SG |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579522
(CHEMBL4863471)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579531
(CHEMBL4869563)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain |
J Med Chem 34: 624-8 (1991)
BindingDB Entry DOI: 10.7270/Q2WD42SG |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Rattus norvegicus) | BDBM201239
(US9187424, 6-2)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |r,t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41)/t29-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of rat recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCMS ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Rattus norvegicus) | BDBM50229038
(CHEMBL345917)Show SMILES COC(=O)c1cccc(c1)-n1c2ncccc2c(=O)n(CC2CC3CCC2C3)c1=O |THB:20:21:27:25.24| Show InChI InChI=1S/C23H23N3O4/c1-30-22(28)16-4-2-5-18(12-16)26-20-19(6-3-9-24-20)21(27)25(23(26)29)13-17-11-14-7-8-15(17)10-14/h2-6,9,12,14-15,17H,7-8,10-11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain |
J Med Chem 34: 624-8 (1991)
BindingDB Entry DOI: 10.7270/Q2WD42SG |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM201316
(US9187424, 145 | US9187424, 80)Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM201295
(US9187424, 59)Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccccc2)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:8| Show InChI InChI=1S/C30H26F6N2O3/c1-19-8-10-20(11-9-19)24-18-28(30(34,35)36,21-12-14-23(15-13-21)41-17-5-16-29(31,32)33)38-27(40)25(24)26(39)37-22-6-3-2-4-7-22/h2-4,6-15H,5,16-18H2,1H3,(H,37,39)(H,38,40) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579508
(CHEMBL4868038)Show SMILES Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579529
(CHEMBL4875367)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579511
(CHEMBL4872250)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM50579511
(CHEMBL4872250)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cn1 |r,t:9| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM50579522
(CHEMBL4863471)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(CCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579514
(CHEMBL4863703)Show SMILES CNC(=O)C1=C(C[C@](NC1=O)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F)c1ccc(C)cc1 |r,t:4| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM201316
(US9187424, 145 | US9187424, 80)Show SMILES CCOc1ccc(cc1)C1=C(C#N)C(=O)NC(C1)(c1ccc(OCCCC(F)(F)F)cc1)C(F)(F)F |c:10| Show InChI InChI=1S/C25H22F6N2O3/c1-2-35-18-8-4-16(5-9-18)20-14-23(25(29,30)31,33-22(34)21(20)15-32)17-6-10-19(11-7-17)36-13-3-12-24(26,27)28/h4-11H,2-3,12-14H2,1H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579520
(CHEMBL4851952)Show SMILES CCCCSc1ccc(cc1)[C@@]1(CC(=C(c2nnn[nH]2)C(=O)N1)c1ccc(C)cc1)C(F)(F)F |r,t:14| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM50579509
(CHEMBL4872517)Show SMILES COc1cnc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cn1 |r,t:9| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579526
(CHEMBL4878564)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1)C(F)(F)F |r,c:8| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Mus musculus) | BDBM50579531
(CHEMBL4869563)Show SMILES Cc1ccc(cc1)C1=C(c2nnn[nH]2)C(=O)N[C@@](C1)(c1ccc(OCCCCCC(F)(F)F)cc1F)C(F)(F)F |r,c:8| | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of mouse recombinant MGAT2 expressed in Sf9 cell membrane using 2-oleoylglycerol and oleoyl-CoA as substrates incubated for 10 mins by LCM... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50442178
(CHEMBL2441600 | US9187424, 124)Show SMILES COc1ccc(NC(=O)C2=C(CC(NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)cc1 |t:9| Show InChI InChI=1S/C31H28F6N2O4/c1-19-4-6-20(7-5-19)25-18-29(31(35,36)37,21-8-12-24(13-9-21)43-17-3-16-30(32,33)34)39-28(41)26(25)27(40)38-22-10-14-23(42-2)15-11-22/h4-15H,3,16-18H2,1-2H3,(H,38,40)(H,39,41) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase
(Homo sapiens (Human)) | BDBM50579510
(CHEMBL4865613)Show SMILES COc1ccc(NC(=O)C2=C(C[C@](NC2=O)(c2ccc(OCCCC(F)(F)F)cc2)C(F)(F)F)c2ccc(C)cc2)nn1 |r,t:9| | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human recombinant MGAT2 expressed in Sf9 cell membrane using 2-monooleglycerol and [H3]-oleoyl-CoA as substrates incubated for 20 mins ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01356 BindingDB Entry DOI: 10.7270/Q2RF5ZVM |
More data for this Ligand-Target Pair | |