Found 221 hits with Last Name = 'walker' and Initial = 'ss' 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 |
|---|
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009445
(CHEMBL3233889)Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.34,wD:34.38,(9.81,-20.41,;11.14,-21.18,;11.14,-22.72,;12.47,-23.49,;12.48,-25.03,;13.81,-25.8,;11.15,-25.81,;9.81,-25.04,;8.48,-25.81,;7.14,-25.05,;5.81,-25.82,;4.48,-25.05,;3.14,-25.83,;1.81,-25.05,;.48,-25.82,;.49,-27.37,;1.83,-28.13,;3.16,-27.36,;13.81,-22.72,;15.14,-23.48,;16.48,-22.71,;16.47,-21.16,;15.13,-20.4,;13.81,-21.17,;12.47,-20.41,;17.8,-20.38,;19.14,-21.15,;20.47,-20.38,;20.46,-18.83,;19.11,-18.07,;17.79,-18.85,;21.79,-18.05,;21.78,-16.52,;23.11,-15.74,;24.45,-16.51,;25.78,-15.73,;27.12,-16.5,;27.12,-18.03,;28.45,-15.72,;24.45,-18.05,;23.13,-18.82,)| Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009439
(CHEMBL3233885)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(69.09,-49.64,;69.08,-48.11,;70.4,-47.32,;67.74,-47.35,;66.41,-48.12,;65.07,-47.37,;63.74,-48.15,;63.75,-49.68,;65.1,-50.44,;66.42,-49.67,;62.43,-50.46,;62.44,-52,;61.12,-52.79,;59.77,-52.02,;59.76,-50.49,;61.08,-49.71,;58.45,-52.8,;57.11,-52.04,;55.78,-52.82,;55.8,-54.37,;54.48,-55.15,;54.49,-56.69,;55.83,-57.45,;57.17,-56.67,;57.15,-55.13,;58.47,-54.34,;53.14,-54.39,;53.13,-52.85,;51.82,-55.17,;50.48,-54.41,;50.46,-52.87,;49.12,-52.11,;47.8,-52.89,;47.81,-54.44,;49.15,-55.19,)| Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009444
(CHEMBL3233888)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)| Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009439
(CHEMBL3233885)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(cccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(69.09,-49.64,;69.08,-48.11,;70.4,-47.32,;67.74,-47.35,;66.41,-48.12,;65.07,-47.37,;63.74,-48.15,;63.75,-49.68,;65.1,-50.44,;66.42,-49.67,;62.43,-50.46,;62.44,-52,;61.12,-52.79,;59.77,-52.02,;59.76,-50.49,;61.08,-49.71,;58.45,-52.8,;57.11,-52.04,;55.78,-52.82,;55.8,-54.37,;54.48,-55.15,;54.49,-56.69,;55.83,-57.45,;57.17,-56.67,;57.15,-55.13,;58.47,-54.34,;53.14,-54.39,;53.13,-52.85,;51.82,-55.17,;50.48,-54.41,;50.46,-52.87,;49.12,-52.11,;47.8,-52.89,;47.81,-54.44,;49.15,-55.19,)| Show InChI InChI=1S/C31H29NO3/c33-30(34)19-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-28-26(20-25)5-4-8-29(28)31(35)32-27-6-2-1-3-7-27/h1-8,13-18,20-22H,9-12,19H2,(H,32,35)(H,33,34)/t21-,22- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009445
(CHEMBL3233889)Show SMILES Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:31.34,wD:34.38,(9.81,-20.41,;11.14,-21.18,;11.14,-22.72,;12.47,-23.49,;12.48,-25.03,;13.81,-25.8,;11.15,-25.81,;9.81,-25.04,;8.48,-25.81,;7.14,-25.05,;5.81,-25.82,;4.48,-25.05,;3.14,-25.83,;1.81,-25.05,;.48,-25.82,;.49,-27.37,;1.83,-28.13,;3.16,-27.36,;13.81,-22.72,;15.14,-23.48,;16.48,-22.71,;16.47,-21.16,;15.13,-20.4,;13.81,-21.17,;12.47,-20.41,;17.8,-20.38,;19.14,-21.15,;20.47,-20.38,;20.46,-18.83,;19.11,-18.07,;17.79,-18.85,;21.79,-18.05,;21.78,-16.52,;23.11,-15.74,;24.45,-16.51,;25.78,-15.73,;27.12,-16.5,;27.12,-18.03,;28.45,-15.72,;24.45,-18.05,;23.13,-18.82,)| Show InChI InChI=1S/C36H40N2O3/c1-25-22-33(36(41)37-21-7-3-6-10-26-8-4-2-5-9-26)32-20-19-31(24-34(32)38-25)30-17-15-29(16-18-30)28-13-11-27(12-14-28)23-35(39)40/h2,4-5,8-9,15-20,22,24,27-28H,3,6-7,10-14,21,23H2,1H3,(H,37,41)(H,39,40)/t27-,28- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485379
(CHEMBL2059641)Show SMILES CNc1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1 Show InChI InChI=1S/C27H32ClN5O4S/c1-27(10-11-27)19-37-25-24(17-30-33(26(25)34)23-5-3-4-21(28)16-23)31-12-14-32(15-13-31)38(35,36)18-20-6-8-22(29-2)9-7-20/h3-9,16-17,29H,10-15,18-19H2,1-2H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
DNA-directed RNA polymerase subunit beta
(Escherichia coli) | BDBM50391000
(CB-01-11 | RIFAMYCIN)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25| Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | 37 |
Merck & Co., Inc.
| Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t... |
ACS Chem Biol 12: 1346-1352 (2017)
Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009446
(CHEMBL3233891)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)[n+]([O-])c1 Show InChI InChI=1S/C27H25N3O5/c1-17-13-22(25(31)29-20-7-5-4-6-8-20)21-11-9-18(14-23(21)28-17)19-10-12-24(30(34)15-19)35-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,29,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009441
(CHEMBL3233886)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)| Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009443
(CHEMBL3233887)Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1 |r,wU:27.29,wD:30.33,(29.37,-6.9,;28.04,-7.67,;26.71,-6.9,;28.04,-9.21,;26.71,-9.98,;26.72,-11.53,;28.05,-12.29,;29.38,-11.51,;30.72,-12.28,;32.05,-11.51,;33.38,-12.28,;32.04,-9.97,;30.71,-9.2,;30.71,-7.65,;32.04,-6.88,;33.38,-7.65,;34.7,-6.87,;36.04,-7.63,;36.05,-9.18,;34.71,-9.96,;33.38,-9.19,;37.37,-6.86,;38.71,-7.63,;40.04,-6.85,;40.03,-5.31,;38.68,-4.55,;37.36,-5.33,;41.35,-4.53,;41.34,-3,;42.68,-2.22,;44.02,-2.98,;45.35,-2.21,;46.69,-2.97,;46.69,-4.51,;48.02,-2.19,;44.02,-4.52,;42.7,-5.3,;29.38,-9.98,)| Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429030
(CHEMBL2334097)Show SMILES Cc1c(oc2c(C)c(C)ccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C28H28FN5O3/c1-17-8-10-21-19(3)26(37-25(21)18(17)2)27(35)31-20-9-11-24(30-16-20)33-12-14-34(15-13-33)28(36)32-23-7-5-4-6-22(23)29/h4-11,16H,12-15H2,1-3H3,(H,31,35)(H,32,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429039
(CHEMBL2334088)Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C26H24FN5O3/c1-17-19-6-2-5-9-22(19)35-24(17)25(33)29-18-10-11-23(28-16-18)31-12-14-32(15-13-31)26(34)30-21-8-4-3-7-20(21)27/h2-11,16H,12-15H2,1H3,(H,29,33)(H,30,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009444
(CHEMBL3233888)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:26.29,wD:29.33,(49,-7.53,;50.33,-8.3,;50.33,-9.84,;51.67,-10.61,;51.67,-12.15,;53.01,-12.92,;50.34,-12.93,;49,-12.16,;49,-10.62,;47.67,-9.85,;46.33,-10.63,;46.34,-12.18,;47.68,-12.94,;53,-9.84,;54.34,-10.6,;55.67,-9.83,;55.66,-8.28,;54.32,-7.52,;53,-8.29,;51.66,-7.53,;56.99,-7.5,;58.33,-8.27,;59.66,-7.5,;59.65,-5.95,;58.3,-5.19,;56.98,-5.97,;60.98,-5.17,;60.97,-3.64,;62.3,-2.86,;63.64,-3.63,;64.97,-2.85,;66.31,-3.62,;66.31,-5.15,;67.64,-2.84,;63.65,-5.17,;62.32,-5.94,)| Show InChI InChI=1S/C31H30N2O3/c1-20-17-28(31(36)33-26-5-3-2-4-6-26)27-16-15-25(19-29(27)32-20)24-13-11-23(12-14-24)22-9-7-21(8-10-22)18-30(34)35/h2-6,11-17,19,21-22H,7-10,18H2,1H3,(H,33,36)(H,34,35)/t21-,22- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429008
(CHEMBL2334082)Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cn2)c1 Show InChI InChI=1S/C31H29N3O5/c35-30(23-6-4-11-28(18-23)39-26-8-2-1-3-9-26)33-25-12-13-29(32-20-25)34-16-14-22(15-17-34)21-38-27-10-5-7-24(19-27)31(36)37/h1-13,18-20,22H,14-17,21H2,(H,33,35)(H,36,37) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
DNA-directed RNA polymerase subunit beta
(Escherichia coli) | BDBM50391000
(CB-01-11 | RIFAMYCIN)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C |r,c:23,t:3,25| Show InChI InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1 | PDB
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Merck & Co., Inc.
| Assay Description
Fluorescence-detected RNAP inhibition assays in Tables 1 and 4 were performed using a DNA fragment containing the lacUV5 promoter as a template and t... |
ACS Chem Biol 12: 1346-1352 (2017)
Article DOI: 10.1021/acschembio.6b01133
BindingDB Entry DOI: 10.7270/Q2VM4B41 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429019
(CHEMBL2334075)Show SMILES Cc1c(sc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1 Show InChI InChI=1S/C34H31N3O4S/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009390
(CHEMBL3233871)Show SMILES OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(F)c1 |r| Show InChI InChI=1S/C27H22F4N2O5/c28-22-14-17(15-4-6-16(7-5-15)24(34)20-2-1-3-21(20)25(35)36)8-13-23(22)33-26(37)32-18-9-11-19(12-10-18)38-27(29,30)31/h4-14,20-21H,1-3H2,(H,35,36)(H2,32,33,37)/t20-,21-/m1/s1 | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50385398
(CHEMBL2036730)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(NC(=O)c2nnc(Nc3ccc(F)c(F)c3)o2)cc1 |r,wU:4.3,wD:7.10,(19.62,-39.47,;18.85,-40.8,;17.31,-40.79,;19.62,-42.14,;21.16,-42.14,;21.93,-40.81,;23.47,-40.82,;24.23,-42.16,;23.46,-43.49,;21.93,-43.48,;25.77,-42.17,;26.55,-40.84,;28.08,-40.85,;28.84,-42.19,;30.38,-42.2,;31.16,-40.87,;30.4,-39.53,;32.71,-40.88,;33.18,-39.41,;34.72,-39.41,;35.19,-40.87,;36.52,-41.64,;37.85,-40.86,;37.84,-39.33,;39.16,-38.55,;40.51,-39.31,;41.84,-38.53,;40.52,-40.85,;41.85,-41.61,;39.19,-41.63,;33.95,-41.78,;28.07,-43.51,;26.54,-43.51,)| Show InChI InChI=1S/C23H22F2N4O4/c24-18-10-9-17(12-19(18)25)27-23-29-28-22(33-23)21(32)26-16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-20(30)31/h5-10,12-14H,1-4,11H2,(H,26,32)(H,27,29)(H,30,31)/t13-,14- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009391
(CHEMBL3233872)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(65.24,-4.33,;65.41,-2.8,;66.81,-2.18,;64.16,-1.9,;62.75,-2.52,;61.51,-1.61,;60.09,-2.24,;59.94,-3.76,;61.19,-4.67,;62.59,-4.05,;58.53,-4.39,;58.37,-5.92,;56.96,-6.55,;55.72,-5.64,;55.88,-4.12,;57.28,-3.49,;54.31,-6.26,;53.07,-5.35,;51.66,-5.98,;51.5,-7.51,;50.25,-8.42,;50.73,-9.89,;52.28,-9.89,;52.75,-8.42,;54.15,-7.79,;48.79,-7.95,;48.46,-6.44,;47.64,-8.98,;46.18,-8.51,;45.86,-7,;44.4,-6.53,;43.25,-7.56,;43.58,-9.07,;45.04,-9.54,)| Show InChI InChI=1S/C29H28N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-17,19-21H,6-9,18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50341760
(2-Phenyl-5-trifluoromethyloxazole-4-carboxylic Aci...)Show SMILES COCCN(C)c1ccc(NC(=O)c2nc(oc2C(F)(F)F)-c2ccccc2)cn1 Show InChI InChI=1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429034
(CHEMBL2334093)Show SMILES Cc1c(oc2ccc(F)cc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C26H23F2N5O3/c1-16-19-14-17(27)6-8-22(19)36-24(16)25(34)30-18-7-9-23(29-15-18)32-10-12-33(13-11-32)26(35)31-21-5-3-2-4-20(21)28/h2-9,14-15H,10-13H2,1H3,(H,30,34)(H,31,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429035
(CHEMBL2334092)Show SMILES FC(F)c1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C26H22F3N5O3/c27-18-6-2-3-7-19(18)32-26(36)34-13-11-33(12-14-34)21-10-9-16(15-30-21)31-25(35)23-22(24(28)29)17-5-1-4-8-20(17)37-23/h1-10,15,24H,11-14H2,(H,31,35)(H,32,36) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009432
(CHEMBL3233884)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(49.67,-49.46,;49.66,-47.92,;50.99,-47.14,;48.32,-47.16,;46.99,-47.94,;45.65,-47.18,;44.32,-47.96,;44.34,-49.5,;45.68,-50.26,;47,-49.48,;43.01,-50.28,;43.03,-51.82,;41.7,-52.6,;40.36,-51.84,;40.34,-50.31,;41.66,-49.52,;39.03,-52.62,;37.69,-51.86,;36.36,-52.63,;36.39,-54.19,;35.07,-54.96,;35.08,-56.5,;36.42,-57.26,;37.75,-56.48,;37.73,-54.94,;39.05,-54.15,;33.73,-54.2,;33.72,-52.66,;32.4,-54.98,;31.06,-54.22,;31.05,-52.69,;29.71,-51.93,;28.38,-52.71,;28.4,-54.26,;29.74,-55.01,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429010
(CHEMBL2334085)Show SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1 Show InChI InChI=1S/C29H33N3O5/c1-2-3-16-36-25-8-4-6-22(17-25)28(33)31-24-10-11-27(30-19-24)32-14-12-21(13-15-32)20-37-26-9-5-7-23(18-26)29(34)35/h4-11,17-19,21H,2-3,12-16,20H2,1H3,(H,31,33)(H,34,35) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009441
(CHEMBL3233886)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2c(ccnc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(23.38,-4.8,;23.38,-3.27,;24.71,-2.49,;22.04,-2.5,;20.71,-3.28,;19.37,-2.51,;18.03,-3.29,;18.04,-4.82,;19.39,-5.59,;20.71,-4.82,;16.72,-5.6,;16.73,-7.15,;15.4,-7.92,;14.06,-7.15,;14.05,-5.62,;15.37,-4.84,;12.73,-7.93,;12.74,-9.48,;11.4,-10.25,;10.07,-9.49,;8.73,-10.26,;7.4,-9.49,;7.4,-7.95,;8.73,-7.18,;10.07,-7.94,;11.39,-7.17,;8.74,-11.8,;10.07,-12.57,;7.41,-12.58,;6.07,-11.81,;6.07,-10.27,;4.73,-9.5,;3.4,-10.28,;3.41,-11.83,;4.74,-12.59,)| Show InChI InChI=1S/C30H28N2O3/c33-29(34)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(16-17-31-28(26)19-24)30(35)32-25-4-2-1-3-5-25/h1-5,10-17,19-21H,6-9,18H2,(H,32,35)(H,33,34)/t20-,21- | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429032
(CHEMBL2334095)Show SMILES Cc1c(oc2ccc(C)cc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C27H26FN5O3/c1-17-7-9-23-20(15-17)18(2)25(36-23)26(34)30-19-8-10-24(29-16-19)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35) | PDB
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Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429033
(CHEMBL2334094)Show SMILES COc1ccc2oc(C(=O)Nc3ccc(nc3)N3CCN(CC3)C(=O)Nc3ccccc3F)c(C)c2c1 Show InChI InChI=1S/C27H26FN5O4/c1-17-20-15-19(36-2)8-9-23(20)37-25(17)26(34)30-18-7-10-24(29-16-18)32-11-13-33(14-12-32)27(35)31-22-6-4-3-5-21(22)28/h3-10,15-16H,11-14H2,1-2H3,(H,30,34)(H,31,35) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429009
(CHEMBL2334100)Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1 Show InChI InChI=1S/C34H31N3O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-12-30(29)42-32(22)33(38)36-27-11-13-31(35-20-27)37-16-14-23(15-17-37)21-41-28-9-5-8-26(18-28)34(39)40/h2-13,18-20,23H,14-17,21H2,1H3,(H,36,38)(H,39,40) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485394
(CHEMBL2059493)Show SMILES CC1(COc2c(cnn(-c3cc(F)cc(F)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(F)c2)CC1 Show InChI InChI=1S/C26H28F3N5O4S/c1-26(4-5-26)16-38-24-23(14-31-34(25(24)35)20-12-18(27)11-19(28)13-20)32-6-8-33(9-7-32)39(36,37)15-17-2-3-22(30)21(29)10-17/h2-3,10-14H,4-9,15-16,30H2,1H3 | UniProtKB/TrEMBL
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| n/a | n/a | 53.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429013
(CHEMBL2334081)Show SMILES OC(=O)c1cccc(OCC2CCN(CC2)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cn2)c1 Show InChI InChI=1S/C31H29N3O5/c35-30(23-9-12-27(13-10-23)39-26-6-2-1-3-7-26)33-25-11-14-29(32-20-25)34-17-15-22(16-18-34)21-38-28-8-4-5-24(19-28)31(36)37/h1-14,19-20,22H,15-18,21H2,(H,33,35)(H,36,37) | PDB
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Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485364
(CHEMBL2059474)Show SMILES FCC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C26H28ClFN4O4S/c27-21-7-4-8-22(15-21)32-25(33)24(36-19-26(18-28)9-10-26)23(16-29-32)30-11-13-31(14-12-30)37(34,35)17-20-5-2-1-3-6-20/h1-8,15-16H,9-14,17-19H2 | UniProtKB/TrEMBL
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| Article
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| n/a | n/a | 54.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429038
(CHEMBL2334089)Show SMILES Cc1c(sc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C26H24FN5O2S/c1-17-19-6-2-5-9-22(19)35-24(17)25(33)29-18-10-11-23(28-16-18)31-12-14-32(15-13-31)26(34)30-21-8-4-3-7-20(21)27/h2-11,16H,12-15H2,1H3,(H,29,33)(H,30,34) | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009416
(CHEMBL3233883)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(33.08,-49.11,;33.07,-47.57,;34.4,-46.79,;31.73,-46.81,;30.4,-47.59,;29.06,-46.83,;27.73,-47.61,;27.75,-49.14,;29.09,-49.91,;30.41,-49.13,;26.42,-49.93,;26.44,-51.47,;25.11,-52.25,;23.77,-51.49,;23.75,-49.96,;25.07,-49.17,;22.44,-52.27,;21.1,-51.51,;19.77,-52.28,;19.8,-53.83,;18.48,-54.61,;19.1,-56.08,;20.84,-56.11,;21.15,-54.6,;22.46,-53.8,;17.14,-53.85,;17.13,-52.31,;15.81,-54.63,;14.47,-53.87,;14.46,-52.34,;13.12,-51.58,;11.79,-52.36,;11.81,-53.9,;13.15,-54.66,)| Show InChI InChI=1S/C29H30N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485398
(CHEMBL2059384)Show SMILES Fc1cc(F)cc(c1)-n1ncc(N2CCN(CC2)S(=O)(=O)Cc2ccccc2)c(OC2CCCC2)c1=O Show InChI InChI=1S/C26H28F2N4O4S/c27-20-14-21(28)16-22(15-20)32-26(33)25(36-23-8-4-5-9-23)24(17-29-32)30-10-12-31(13-11-30)37(34,35)18-19-6-2-1-3-7-19/h1-3,6-7,14-17,23H,4-5,8-13,18H2 | UniProtKB/TrEMBL
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| Article
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| n/a | n/a | 56.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485363
(CHEMBL2059473)Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29ClN4O4S/c1-26(10-11-26)19-35-24-23(17-28-31(25(24)32)22-9-5-8-21(27)16-22)29-12-14-30(15-13-29)36(33,34)18-20-6-3-2-4-7-20/h2-9,16-17H,10-15,18-19H2,1H3 | UniProtKB/TrEMBL
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| PC cid
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| Article
PubMed
| n/a | n/a | 56.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009443
(CHEMBL3233887)Show SMILES CC(C)c1cccc(NC(=O)c2ccnc3cc(ccc23)-c2ccc(cc2)[C@H]2CC[C@H](CC(O)=O)CC2)c1 |r,wU:27.29,wD:30.33,(29.37,-6.9,;28.04,-7.67,;26.71,-6.9,;28.04,-9.21,;26.71,-9.98,;26.72,-11.53,;28.05,-12.29,;29.38,-11.51,;30.72,-12.28,;32.05,-11.51,;33.38,-12.28,;32.04,-9.97,;30.71,-9.2,;30.71,-7.65,;32.04,-6.88,;33.38,-7.65,;34.7,-6.87,;36.04,-7.63,;36.05,-9.18,;34.71,-9.96,;33.38,-9.19,;37.37,-6.86,;38.71,-7.63,;40.04,-6.85,;40.03,-5.31,;38.68,-4.55,;37.36,-5.33,;41.35,-4.53,;41.34,-3,;42.68,-2.22,;44.02,-2.98,;45.35,-2.21,;46.69,-2.97,;46.69,-4.51,;48.02,-2.19,;44.02,-4.52,;42.7,-5.3,;29.38,-9.98,)| Show InChI InChI=1S/C33H34N2O3/c1-21(2)26-4-3-5-28(19-26)35-33(38)30-16-17-34-31-20-27(14-15-29(30)31)25-12-10-24(11-13-25)23-8-6-22(7-9-23)18-32(36)37/h3-5,10-17,19-23H,6-9,18H2,1-2H3,(H,35,38)(H,36,37)/t22-,23- | PDB
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| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429036
(CHEMBL2334091)Show SMILES FCc1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F Show InChI InChI=1S/C26H23F2N5O3/c27-15-19-18-5-1-4-8-22(18)36-24(19)25(34)30-17-9-10-23(29-16-17)32-11-13-33(14-12-32)26(35)31-21-7-3-2-6-20(21)28/h1-10,16H,11-15H2,(H,30,34)(H,31,35) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50009432
(CHEMBL3233884)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(49.67,-49.46,;49.66,-47.92,;50.99,-47.14,;48.32,-47.16,;46.99,-47.94,;45.65,-47.18,;44.32,-47.96,;44.34,-49.5,;45.68,-50.26,;47,-49.48,;43.01,-50.28,;43.03,-51.82,;41.7,-52.6,;40.36,-51.84,;40.34,-50.31,;41.66,-49.52,;39.03,-52.62,;37.69,-51.86,;36.36,-52.63,;36.39,-54.19,;35.07,-54.96,;35.08,-56.5,;36.42,-57.26,;37.75,-56.48,;37.73,-54.94,;39.05,-54.15,;33.73,-54.2,;33.72,-52.66,;32.4,-54.98,;31.06,-54.22,;31.05,-52.69,;29.71,-51.93,;28.38,-52.71,;28.4,-54.26,;29.74,-55.01,)| Show InChI InChI=1S/C29H30N2O4/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-26-27(19-24)35-17-16-31(26)29(34)30-25-4-2-1-3-5-25/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
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| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009416
(CHEMBL3233883)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(33.08,-49.11,;33.07,-47.57,;34.4,-46.79,;31.73,-46.81,;30.4,-47.59,;29.06,-46.83,;27.73,-47.61,;27.75,-49.14,;29.09,-49.91,;30.41,-49.13,;26.42,-49.93,;26.44,-51.47,;25.11,-52.25,;23.77,-51.49,;23.75,-49.96,;25.07,-49.17,;22.44,-52.27,;21.1,-51.51,;19.77,-52.28,;19.8,-53.83,;18.48,-54.61,;19.1,-56.08,;20.84,-56.11,;21.15,-54.6,;22.46,-53.8,;17.14,-53.85,;17.13,-52.31,;15.81,-54.63,;14.47,-53.87,;14.46,-52.34,;13.12,-51.58,;11.79,-52.36,;11.81,-53.9,;13.15,-54.66,)| Show InChI InChI=1S/C29H30N2O3/c32-28(33)18-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-15-27-25(19-24)16-17-31(27)29(34)30-26-4-2-1-3-5-26/h1-5,10-15,19-21H,6-9,16-18H2,(H,30,34)(H,32,33)/t20-,21- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485376
(CHEMBL2059494)Show SMILES CC1(COc2c(cnn(-c3cc(F)cc(F)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2ccc(N)c(Cl)c2)CC1 Show InChI InChI=1S/C26H28ClF2N5O4S/c1-26(4-5-26)16-38-24-23(14-31-34(25(24)35)20-12-18(28)11-19(29)13-20)32-6-8-33(9-7-32)39(36,37)15-17-2-3-22(30)21(27)10-17/h2-3,10-14H,4-9,15-16,30H2,1H3 | UniProtKB/TrEMBL
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM113723
(US8637507, B-17)Show SMILES Cc1cc(C(=O)Nc2ccccc2)c2ccc(cc2n1)-c1ccc(OCC(C)(C)C(O)=O)nc1 Show InChI InChI=1S/C27H25N3O4/c1-17-13-22(25(31)30-20-7-5-4-6-8-20)21-11-9-18(14-23(21)29-17)19-10-12-24(28-15-19)34-16-27(2,3)26(32)33/h4-15H,16H2,1-3H3,(H,30,31)(H,32,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429029
(CHEMBL2334098)Show SMILES Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C33H29N5O5/c1-21-26-19-23(22-7-3-2-4-8-22)11-13-28(26)43-30(21)31(39)35-24-12-14-29(34-20-24)37-15-17-38(18-16-37)33(42)36-27-10-6-5-9-25(27)32(40)41/h2-14,19-20H,15-18H2,1H3,(H,35,39)(H,36,42)(H,40,41) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485368
(CHEMBL2059481)Show SMILES Fc1cccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2CCCC2)c1 Show InChI InChI=1S/C26H27F3N4O4S/c27-19-5-3-4-18(12-19)17-38(35,36)32-10-8-31(9-11-32)24-16-30-33(22-14-20(28)13-21(29)15-22)26(34)25(24)37-23-6-1-2-7-23/h3-5,12-16,23H,1-2,6-11,17H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 72.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485390
(CHEMBL2059482)Show SMILES Fc1ccccc1CS(=O)(=O)N1CCN(CC1)c1cnn(-c2cccc(Cl)c2)c(=O)c1OC1CCCC1 Show InChI InChI=1S/C26H28ClFN4O4S/c27-20-7-5-8-21(16-20)32-26(33)25(36-22-9-2-3-10-22)24(17-29-32)30-12-14-31(15-13-30)37(34,35)18-19-6-1-4-11-23(19)28/h1,4-8,11,16-17,22H,2-3,9-10,12-15,18H2 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485375
(CHEMBL2059492)Show SMILES CC1(COc2c(cnn(-c3cccc(Cl)c3)c2=O)N2CCN(CC2)S(=O)(=O)Cc2cccc(N)c2)CC1 Show InChI InChI=1S/C26H30ClN5O4S/c1-26(8-9-26)18-36-24-23(16-29-32(25(24)33)22-7-3-5-20(27)15-22)30-10-12-31(13-11-30)37(34,35)17-19-4-2-6-21(28)14-19/h2-7,14-16H,8-13,17-18,28H2,1H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50429016
(CHEMBL2334078)Show SMILES CC1CCCN(C1)c1nc(c(o1)C(=O)Nc1ccc(nc1)N1CCC(COc2cccc(c2)C(O)=O)CC1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O5/c1-18-4-3-11-37(16-18)28-35-25(29(30,31)32)24(42-28)26(38)34-21-7-8-23(33-15-21)36-12-9-19(10-13-36)17-41-22-6-2-5-20(14-22)27(39)40/h2,5-8,14-15,18-19H,3-4,9-13,16-17H2,1H3,(H,34,38)(H,39,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillat... |
Bioorg Med Chem Lett 23: 985-8 (2013)
Article DOI: 10.1016/j.bmcl.2012.12.040
BindingDB Entry DOI: 10.7270/Q2SX6FJW |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Mus musculus (mouse)) | BDBM50009398
(CHEMBL3233879)Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc2N(CCCc2c1)C(=O)Nc1ccccc1 |r,wU:7.10,wD:4.3,(21.29,-37.92,;21.28,-36.38,;22.61,-35.6,;19.94,-35.62,;18.62,-36.4,;17.27,-35.64,;15.94,-36.42,;15.96,-37.95,;17.3,-38.72,;18.62,-37.94,;14.64,-38.74,;14.65,-40.28,;13.32,-41.06,;11.98,-40.3,;11.97,-38.77,;13.29,-37.98,;10.66,-41.08,;9.32,-40.32,;7.98,-41.09,;8.01,-42.64,;6.69,-43.42,;6.7,-44.96,;8.04,-45.72,;9.37,-44.94,;9.35,-43.4,;10.67,-42.61,;5.35,-42.66,;5.34,-41.12,;4.02,-43.44,;2.68,-42.68,;2.67,-41.15,;1.33,-40.39,;0,-41.17,;.02,-42.72,;1.36,-43.47,)| Show InChI InChI=1S/C30H32N2O3/c33-29(34)19-21-8-10-22(11-9-21)23-12-14-24(15-13-23)25-16-17-28-26(20-25)5-4-18-32(28)30(35)31-27-6-2-1-3-7-27/h1-3,6-7,12-17,20-22H,4-5,8-11,18-19H2,(H,31,35)(H,33,34)/t21-,22- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse DGAT1 |
Bioorg Med Chem Lett 24: 1790-4 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.028
BindingDB Entry DOI: 10.7270/Q2DR2X19 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485380
(CHEMBL2059642)Show SMILES CN(C)c1ccc(CS(=O)(=O)N2CCN(CC2)c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)cc1 Show InChI InChI=1S/C28H34ClN5O4S/c1-28(11-12-28)20-38-26-25(18-30-34(27(26)35)24-6-4-5-22(29)17-24)32-13-15-33(16-14-32)39(36,37)19-21-7-9-23(10-8-21)31(2)3/h4-10,17-18H,11-16,19-20H2,1-3H3 | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 1,3-beta-D-glucan synthase in Candida albicans BWP17 membranes |
Bioorg Med Chem Lett 22: 5268-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.091
BindingDB Entry DOI: 10.7270/Q2MC92WW |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485331
(CHEMBL2046603)Show SMILES Clc1cccc(NC(=O)C(\OC2CCCC2)=C(/C=N)N2CCN(CC2)S(=O)(=O)NCc2ccccc2)c1 Show InChI InChI=1S/C26H32ClN5O4S/c27-21-9-6-10-22(17-21)30-26(33)25(36-23-11-4-5-12-23)24(18-28)31-13-15-32(16-14-31)37(34,35)29-19-20-7-2-1-3-8-20/h1-3,6-10,17-18,23,28-29H,4-5,11-16,19H2,(H,30,33)/b25-24-,28-18? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research, Inc. (AMRI)
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane |
Bioorg Med Chem Lett 22: 4896-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
1,3-beta-D-glucan synthase catalytic subunit
(Candida albicans) | BDBM50485333
(CHEMBL2046738)Show SMILES CC1(CO\C(C(=O)Nc2cccc(Cl)c2)=C(\C=N)N2CCN(CC2)S(=O)(=O)NCc2ccncc2)CC1 Show InChI InChI=1S/C25H31ClN6O4S/c1-25(7-8-25)18-36-23(24(33)30-21-4-2-3-20(26)15-21)22(16-27)31-11-13-32(14-12-31)37(34,35)29-17-19-5-9-28-10-6-19/h2-6,9-10,15-16,27,29H,7-8,11-14,17-18H2,1H3,(H,30,33)/b23-22-,27-16? | UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 91.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Albany Molecular Research, Inc. (AMRI)
Curated by ChEMBL
| Assay Description
Inhibition of glucan synthase in Candida albicans BWP17 membrane |
Bioorg Med Chem Lett 22: 4896-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.127
BindingDB Entry DOI: 10.7270/Q2NC6424 |
More data for this
Ligand-Target Pair | |
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