Found 186 hits with Last Name = 'zhang' and Initial = 'jk' 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 |
|---|
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531806
(CHEMBL4460323)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50531806
(CHEMBL4460323)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by... |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531814
(CHEMBL4517600)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C44H55N5O7/c1-28(2)24-35(39(51)44(5)27-56-44)46-42(54)37(26-30-12-8-6-9-13-30)47-41(53)36(25-29(3)4)48-43(55)49-22-20-33(21-23-49)40(52)45-34-18-16-32(17-19-34)38(50)31-14-10-7-11-15-31/h6-19,28-29,33,35-37H,20-27H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,55)/t35-,36-,37-,44+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003815
(CHEMBL3235321)Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F |r,wU:20.22,wD:23.26,c:12,(27.23,-21.22,;25.69,-21.22,;26.46,-22.55,;24.36,-22,;23.03,-21.23,;21.69,-22.01,;20.36,-21.24,;20.36,-19.69,;21.69,-18.92,;21.68,-17.38,;23.02,-19.69,;24.35,-18.91,;25.69,-19.67,;27.02,-18.9,;27,-17.37,;28.32,-16.58,;29.67,-17.35,;29.68,-18.88,;31.15,-19.35,;32.04,-18.1,;31.12,-16.86,;30.02,-15.78,;30.42,-14.29,;31.91,-13.88,;32.3,-12.39,;33.79,-11.99,;34.89,-13.08,;34.19,-10.5,;33,-14.97,;32.61,-16.45,;28.35,-19.66,;19.02,-22.01,;17.69,-21.24,;19.02,-23.55,;17.68,-22.77,)| Show InChI InChI=1S/C25H27F3N4O3/c1-23(2)19(30-18-20(29)31-22(25(26,27)28)32-21(18)35-23)15-3-4-16-14(12-15)7-10-24(16)8-5-13(6-9-24)11-17(33)34/h3-4,12-13H,5-11H2,1-2H3,(H,33,34)(H2,29,31,32)/t13-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531815
(CHEMBL4444107)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C37H50FN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
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 |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531807
(CHEMBL4541038)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H50N6O6/c1-23(2)18-28(31(43)36(5)22-48-36)39-34(46)30(20-25-10-7-6-8-11-25)40-33(45)29(19-24(3)4)41-35(47)42-16-13-26(14-17-42)32(44)38-27-12-9-15-37-21-27/h6-12,15,21,23-24,26,28-30H,13-14,16-20,22H2,1-5H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t28-,29-,30-,36+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531812
(CHEMBL4547405)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C38H50N6O6S/c1-23(2)19-28(32(45)38(5)22-50-38)39-35(48)30(21-25-11-7-6-8-12-25)40-34(47)29(20-24(3)4)42-37(49)44-17-15-26(16-18-44)33(46)43-36-41-27-13-9-10-14-31(27)51-36/h6-14,23-24,26,28-30H,15-22H2,1-5H3,(H,39,48)(H,40,47)(H,42,49)(H,41,43,46)/t28-,29-,30-,38+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM27947
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003815
(CHEMBL3235321)Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1)C(F)(F)F |r,wU:20.22,wD:23.26,c:12,(27.23,-21.22,;25.69,-21.22,;26.46,-22.55,;24.36,-22,;23.03,-21.23,;21.69,-22.01,;20.36,-21.24,;20.36,-19.69,;21.69,-18.92,;21.68,-17.38,;23.02,-19.69,;24.35,-18.91,;25.69,-19.67,;27.02,-18.9,;27,-17.37,;28.32,-16.58,;29.67,-17.35,;29.68,-18.88,;31.15,-19.35,;32.04,-18.1,;31.12,-16.86,;30.02,-15.78,;30.42,-14.29,;31.91,-13.88,;32.3,-12.39,;33.79,-11.99,;34.89,-13.08,;34.19,-10.5,;33,-14.97,;32.61,-16.45,;28.35,-19.66,;19.02,-22.01,;17.69,-21.24,;19.02,-23.55,;17.68,-22.77,)| Show InChI InChI=1S/C25H27F3N4O3/c1-23(2)19(30-18-20(29)31-22(25(26,27)28)32-21(18)35-23)15-3-4-16-14(12-15)7-10-24(16)8-5-13(6-9-24)11-17(33)34/h3-4,12-13H,5-11H2,1-2H3,(H,33,34)(H2,29,31,32)/t13-,24- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531826
(CHEMBL4558648)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C37H50ClN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-26(16-18-43)33(45)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531813
(CHEMBL4542373)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nncs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C33H47N7O6S/c1-20(2)15-24(27(41)33(5)18-46-33)35-30(44)26(17-22-9-7-6-8-10-22)36-29(43)25(16-21(3)4)37-32(45)40-13-11-23(12-14-40)28(42)38-31-39-34-19-47-31/h6-10,19-21,23-26H,11-18H2,1-5H3,(H,35,44)(H,36,43)(H,37,45)(H,38,39,42)/t24-,25-,26-,33+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531808
(CHEMBL4467618)Show SMILES COc1ccc(NC(=O)C2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C38H53N5O7/c1-24(2)20-30(33(44)38(5)23-50-38)40-36(47)32(22-26-10-8-7-9-11-26)41-35(46)31(21-25(3)4)42-37(48)43-18-16-27(17-19-43)34(45)39-28-12-14-29(49-6)15-13-28/h7-15,24-25,27,30-32H,16-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t30-,31-,32-,38+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003860
(CHEMBL3235317)Show SMILES CC1(C)Oc2nc(nc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(F)(F)F |r,wU:19.21,wD:22.25,c:12,(27.64,-8.52,;26.1,-8.52,;26.87,-9.85,;24.77,-9.3,;23.44,-8.53,;22.1,-9.31,;20.77,-8.54,;20.77,-6.99,;22.1,-6.22,;22.1,-4.68,;23.44,-6.99,;24.76,-6.21,;26.1,-6.97,;27.43,-6.19,;28.76,-6.96,;30.09,-6.19,;30.08,-4.64,;28.73,-3.88,;27.41,-4.66,;31.41,-3.86,;31.39,-2.32,;32.72,-1.55,;34.06,-2.31,;35.39,-1.54,;36.73,-2.3,;36.74,-3.84,;38.06,-1.53,;34.06,-3.85,;32.74,-4.63,;19.44,-9.31,;18.1,-8.53,;19.43,-10.85,;18.09,-10.06,)| Show InChI InChI=1S/C23H25F3N4O3/c1-22(2)18(28-17-19(27)29-21(23(24,25)26)30-20(17)33-22)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-16(31)32/h7-10,12-13H,3-6,11H2,1-2H3,(H,31,32)(H2,27,29,30)/t12-,13- | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003858
(CHEMBL3235315)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)-c1ccc(CC(O)=O)cc1 |c:12| Show InChI InChI=1S/C22H20N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h3-10,12H,11H2,1-2H3,(H,27,28)(H2,23,24,25) | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003857
(CHEMBL3235314)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CCC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(25.63,-58.39,;24.09,-58.39,;24.86,-59.72,;22.76,-59.17,;21.42,-58.4,;20.09,-59.18,;18.75,-58.41,;18.76,-56.86,;20.09,-56.09,;20.08,-54.55,;21.42,-56.86,;22.75,-56.08,;24.08,-56.84,;25.41,-56.06,;26.75,-56.83,;28.07,-56.06,;28.07,-54.51,;26.72,-53.75,;25.4,-54.53,;29.39,-53.73,;29.37,-52.2,;30.71,-51.42,;32.05,-52.18,;33.38,-51.41,;34.71,-52.17,;34.72,-53.71,;33.39,-54.49,;36.06,-54.48,;32.05,-53.72,;30.73,-54.5,)| Show InChI InChI=1S/C23H28N4O3/c1-23(2)20(27-19-21(24)25-13-26-22(19)30-23)17-10-8-16(9-11-17)15-6-3-14(4-7-15)5-12-18(28)29/h8-11,13-15H,3-7,12H2,1-2H3,(H,28,29)(H2,24,25,26)/t14-,15- | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM27947
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14- | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531825
(CHEMBL4435814)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccon1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O7/c1-21(2)17-25(29(41)34(5)20-46-34)35-32(44)27(19-23-9-7-6-8-10-23)36-31(43)26(18-22(3)4)37-33(45)40-14-11-24(12-15-40)30(42)38-28-13-16-47-39-28/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,35,44)(H,36,43)(H,37,45)(H,38,39,42)/t25-,26-,27-,34+/m0/s1 | PDB
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| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531816
(CHEMBL4436430)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C35H49N7O6/c1-22(2)17-26(30(43)35(5)21-48-35)38-33(46)28(19-24-9-7-6-8-10-24)39-32(45)27(18-23(3)4)40-34(47)42-15-11-25(12-16-42)31(44)41-29-20-36-13-14-37-29/h6-10,13-14,20,22-23,25-28H,11-12,15-19,21H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,37,41,44)/t26-,27-,28-,35+/m0/s1 | PDB
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| Article
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| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003862
(CHEMBL3235319)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](Cc2nnn[nH]2)CC1 |r,wU:19.21,wD:22.25,c:12,(58.66,-9.38,;57.12,-9.38,;57.89,-10.71,;55.79,-10.16,;54.46,-9.39,;53.12,-10.17,;51.79,-9.4,;51.79,-7.86,;53.12,-7.08,;53.11,-5.54,;54.45,-7.85,;55.78,-7.08,;57.12,-7.84,;58.45,-7.06,;59.78,-7.83,;61.11,-7.05,;61.1,-5.51,;59.75,-4.75,;58.43,-5.53,;62.43,-4.73,;62.4,-3.19,;63.74,-2.41,;65.08,-3.18,;66.41,-2.4,;67.75,-3.17,;69.14,-2.53,;70.18,-3.67,;69.41,-5.01,;67.9,-4.7,;65.08,-4.72,;63.76,-5.49,)| Show InChI InChI=1S/C22H26N8O/c1-22(2)19(26-18-20(23)24-12-25-21(18)31-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17-27-29-30-28-17/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,24,25)(H,27,28,29,30)/t13-,14- | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531811
(CHEMBL4559271)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ncccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C35H49N7O6/c1-22(2)18-26(29(43)35(5)21-48-35)38-32(46)28(20-24-10-7-6-8-11-24)39-31(45)27(19-23(3)4)40-34(47)42-16-12-25(13-17-42)30(44)41-33-36-14-9-15-37-33/h6-11,14-15,22-23,25-28H,12-13,16-21H2,1-5H3,(H,38,46)(H,39,45)(H,40,47)(H,36,37,41,44)/t26-,27-,28-,35+/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003864
(CHEMBL3235322)Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(42.97,-20.87,;41.43,-20.87,;42.2,-22.2,;40.1,-21.65,;38.77,-20.88,;37.43,-21.66,;36.1,-20.89,;36.1,-19.34,;37.43,-18.57,;37.43,-17.03,;38.77,-19.34,;40.09,-18.56,;41.43,-19.32,;42.76,-18.55,;44.09,-19.31,;45.42,-18.54,;45.41,-17,;44.06,-16.23,;42.74,-17.02,;46.74,-16.22,;46.72,-14.68,;48.05,-13.9,;49.39,-14.66,;50.72,-13.89,;52.06,-14.65,;52.07,-16.19,;53.39,-13.88,;49.39,-16.2,;48.07,-16.98,)| Show InChI InChI=1S/C23H27N3O3/c1-23(2)19(12-18-21(24)25-13-26-22(18)29-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-20(27)28/h7-10,12-15H,3-6,11H2,1-2H3,(H,27,28)(H2,24,25,26)/t14-,15- | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003859
(CHEMBL3235316)Show SMILES Cc1nc(N)c2N=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1 |r,wU:14.14,wD:17.18,t:6,(.98,-9.8,;2.31,-9.03,;2.32,-7.49,;3.64,-6.72,;3.64,-5.18,;4.98,-7.48,;6.31,-6.71,;7.64,-7.47,;8.97,-6.69,;10.3,-7.46,;11.63,-6.68,;11.62,-5.14,;10.28,-4.38,;8.95,-5.16,;12.95,-4.36,;12.93,-2.82,;14.26,-2.05,;15.6,-2.81,;16.93,-2.04,;18.27,-2.8,;18.28,-4.34,;19.61,-2.02,;15.61,-4.35,;14.28,-5.12,;7.65,-9.01,;9.19,-9.01,;8.42,-10.35,;6.32,-9.79,;4.98,-9.03,;3.65,-9.8,)| Show InChI InChI=1S/C23H28N4O3/c1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26)/t14-,15- | PDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s immunoproteasome beta5i activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50277889
(CARFILZOMIB | CHEMBL451887)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1 | PDB
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| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by... |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50277889
(CARFILZOMIB | CHEMBL451887)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1 | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003713
(CHEMBL3235323)Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wU:20.22,wD:23.26,c:12,(61.12,-21.75,;59.58,-21.75,;60.35,-23.09,;58.25,-22.53,;56.91,-21.76,;55.58,-22.54,;54.24,-21.77,;54.25,-20.23,;55.57,-19.46,;55.57,-17.92,;56.91,-20.22,;58.24,-19.45,;59.57,-20.21,;60.9,-19.43,;60.88,-17.9,;62.21,-17.12,;63.56,-17.88,;63.57,-19.42,;65.03,-19.88,;65.93,-18.63,;65.01,-17.39,;63.91,-16.31,;64.31,-14.82,;65.79,-14.42,;66.19,-12.93,;67.68,-12.52,;68.77,-13.61,;68.08,-11.03,;66.88,-15.5,;66.49,-16.98,;62.24,-20.2,)| Show InChI InChI=1S/C25H29N3O3/c1-24(2)20(13-18-22(26)27-14-28-23(18)31-24)16-3-4-19-17(12-16)7-10-25(19)8-5-15(6-9-25)11-21(29)30/h3-4,12-15H,5-11H2,1-2H3,(H,29,30)(H2,26,27,28)/t15-,25- | PDB
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antibodypedia
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531833
(CHEMBL4572638)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C43H55N5O6/c1-28(2)24-35(38(49)43(5)27-54-43)45-41(52)37(26-30-12-8-6-9-13-30)46-40(51)36(25-29(3)4)47-42(53)48-22-20-33(21-23-48)39(50)44-34-18-16-32(17-19-34)31-14-10-7-11-15-31/h6-19,28-29,33,35-37H,20-27H2,1-5H3,(H,44,50)(H,45,52)(H,46,51)(H,47,53)/t35-,36-,37-,43+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531832
(CHEMBL4441018)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1ccncc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H50N6O6/c1-23(2)19-28(31(43)36(5)22-48-36)39-34(46)30(21-25-9-7-6-8-10-25)40-33(45)29(20-24(3)4)41-35(47)42-17-13-26(14-18-42)32(44)38-27-11-15-37-16-12-27/h6-12,15-16,23-24,26,28-30H,13-14,17-22H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)(H,37,38,44)/t28-,29-,30-,36+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003856
(CHEMBL3235313)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:19.21,wD:22.28,c:12,(6.26,-59.02,;4.72,-59.02,;5.49,-60.36,;3.39,-59.8,;2.06,-59.04,;.72,-59.82,;-.62,-59.04,;-.62,-57.5,;.72,-56.73,;.71,-55.19,;2.05,-57.49,;3.38,-56.72,;4.72,-57.48,;6.05,-56.7,;7.38,-57.47,;8.71,-56.69,;8.7,-55.15,;7.35,-54.39,;6.03,-55.17,;10.03,-54.37,;10,-52.83,;11.34,-52.06,;12.68,-52.82,;12.68,-54.36,;11.36,-55.13,;14.01,-52.05,;15.35,-52.81,;14.01,-50.51,)| Show InChI InChI=1S/C21H24N4O3/c1-21(2)17(25-16-18(22)23-11-24-19(16)28-21)14-7-3-12(4-8-14)13-5-9-15(10-6-13)20(26)27/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3,(H,26,27)(H2,22,23,24)/t13-,15- | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
UniProtKB/SwissProt
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Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Proteasome subunit beta type-5
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s constitutive proteasome beta5 chymotrypsin-like activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by... |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003713
(CHEMBL3235323)Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc2c(CC[C@@]22CC[C@H](CC(O)=O)CC2)c1 |r,wU:20.22,wD:23.26,c:12,(61.12,-21.75,;59.58,-21.75,;60.35,-23.09,;58.25,-22.53,;56.91,-21.76,;55.58,-22.54,;54.24,-21.77,;54.25,-20.23,;55.57,-19.46,;55.57,-17.92,;56.91,-20.22,;58.24,-19.45,;59.57,-20.21,;60.9,-19.43,;60.88,-17.9,;62.21,-17.12,;63.56,-17.88,;63.57,-19.42,;65.03,-19.88,;65.93,-18.63,;65.01,-17.39,;63.91,-16.31,;64.31,-14.82,;65.79,-14.42,;66.19,-12.93,;67.68,-12.52,;68.77,-13.61,;68.08,-11.03,;66.88,-15.5,;66.49,-16.98,;62.24,-20.2,)| Show InChI InChI=1S/C25H29N3O3/c1-24(2)20(13-18-22(26)27-14-28-23(18)31-24)16-3-4-19-17(12-16)7-10-25(19)8-5-15(6-9-25)11-21(29)30/h3-4,12-15H,5-11H2,1-2H3,(H,29,30)(H2,26,27,28)/t15-,25- | PDB
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antibodypedia
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Similars
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PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531809
(CHEMBL4578081)Show SMILES CC(C)C[C@H](NC(=O)C1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C37H50ClN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)42-34(46)30(20-24(3)4)41-33(45)26-15-17-43(18-16-26)36(48)39-28-13-11-27(38)12-14-28/h6-14,23-24,26,29-31H,15-22H2,1-5H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t29-,30-,31-,37+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003861
(CHEMBL3235318)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(N)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(42.45,-9.21,;40.91,-9.21,;41.68,-10.54,;39.58,-9.99,;38.25,-9.22,;36.91,-10,;35.58,-9.23,;35.58,-7.68,;36.91,-6.91,;36.9,-5.37,;38.24,-7.68,;39.57,-6.9,;40.91,-7.66,;42.24,-6.89,;43.57,-7.65,;44.9,-6.88,;44.89,-5.34,;43.54,-4.58,;42.22,-5.36,;46.22,-4.56,;46.19,-3.02,;47.53,-2.24,;48.87,-3,;50.2,-2.23,;51.54,-2.99,;51.55,-4.53,;52.87,-2.22,;48.87,-4.55,;47.55,-5.32,)| Show InChI InChI=1S/C22H27N5O2/c1-22(2)19(27-18-20(24)25-12-26-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(23)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,23,28)(H2,24,25,26)/t13-,14- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531822
(CHEMBL4443333)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C37H50ClN5O6/c1-23(2)19-29(32(44)37(5)22-49-37)40-35(47)31(21-25-9-7-6-8-10-25)41-34(46)30(20-24(3)4)42-36(48)43-17-15-28(16-18-43)39-33(45)26-11-13-27(38)14-12-26/h6-14,23-24,28-31H,15-22H2,1-5H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t29-,30-,31-,37+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531835
(CHEMBL4557130)Show SMILES COc1ccc(NC(=O)N2CCC(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C38H53N5O7/c1-24(2)20-30(33(44)38(5)23-50-38)40-36(47)32(22-26-10-8-7-9-11-26)42-35(46)31(21-25(3)4)41-34(45)27-16-18-43(19-17-27)37(48)39-28-12-14-29(49-6)15-13-28/h7-15,24-25,27,30-32H,16-23H2,1-6H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t30-,31-,32-,38+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003863
(CHEMBL3235320)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CS(N)(=O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(8.17,-20.46,;6.63,-20.46,;7.4,-21.8,;5.3,-21.24,;3.97,-20.48,;2.64,-21.25,;1.3,-20.48,;1.3,-18.94,;2.63,-18.17,;2.63,-16.63,;3.97,-18.93,;5.29,-18.16,;6.63,-18.92,;7.96,-18.14,;9.29,-18.91,;10.62,-18.13,;10.61,-16.59,;9.26,-15.83,;7.94,-16.61,;11.94,-15.81,;11.92,-14.27,;13.25,-13.5,;14.59,-14.26,;15.92,-13.48,;17.26,-14.25,;17.27,-15.79,;18.02,-12.91,;18.8,-14.24,;14.6,-15.8,;13.27,-16.57,)| Show InChI InChI=1S/C21H27N5O3S/c1-21(2)18(26-17-19(22)24-12-25-20(17)29-21)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-30(23,27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H2,22,24,25)(H2,23,27,28)/t13-,14- | PDB
UniProtKB/SwissProt
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531829
(CHEMBL4580845)Show SMILES COc1ccc(cc1)C(=O)NC1CCN(CC1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C38H53N5O7/c1-24(2)20-30(33(44)38(5)23-50-38)40-36(47)32(22-26-10-8-7-9-11-26)41-35(46)31(21-25(3)4)42-37(48)43-18-16-28(17-19-43)39-34(45)27-12-14-29(49-6)15-13-27/h7-15,24-25,28,30-32H,16-23H2,1-6H3,(H,39,45)(H,40,47)(H,41,46)(H,42,48)/t30-,31-,32-,38+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531821
(CHEMBL4455910)Show SMILES CC(C)C[C@H](NC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C36H49ClN6O6/c1-23(2)19-28(31(44)36(5)22-49-36)39-33(46)30(21-25-9-7-6-8-10-25)40-32(45)29(20-24(3)4)41-35(48)43-17-15-42(16-18-43)34(47)38-27-13-11-26(37)12-14-27/h6-14,23-24,28-30H,15-22H2,1-5H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)/t28-,29-,30-,36+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003859
(CHEMBL3235316)Show SMILES Cc1nc(N)c2N=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1 |r,wU:14.14,wD:17.18,t:6,(.98,-9.8,;2.31,-9.03,;2.32,-7.49,;3.64,-6.72,;3.64,-5.18,;4.98,-7.48,;6.31,-6.71,;7.64,-7.47,;8.97,-6.69,;10.3,-7.46,;11.63,-6.68,;11.62,-5.14,;10.28,-4.38,;8.95,-5.16,;12.95,-4.36,;12.93,-2.82,;14.26,-2.05,;15.6,-2.81,;16.93,-2.04,;18.27,-2.8,;18.28,-4.34,;19.61,-2.02,;15.61,-4.35,;14.28,-5.12,;7.65,-9.01,;9.19,-9.01,;8.42,-10.35,;6.32,-9.79,;4.98,-9.03,;3.65,-9.8,)| Show InChI InChI=1S/C23H28N4O3/c1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26)/t14-,15- | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531823
(CHEMBL4569571)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)NC(=O)c1cnccn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C35H49N7O6/c1-22(2)17-26(30(43)35(5)21-48-35)39-32(45)28(19-24-9-7-6-8-10-24)40-31(44)27(18-23(3)4)41-34(47)42-15-11-25(12-16-42)38-33(46)29-20-36-13-14-37-29/h6-10,13-14,20,22-23,25-28H,11-12,15-19,21H2,1-5H3,(H,38,46)(H,39,45)(H,40,44)(H,41,47)/t26-,27-,28-,35+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50531806
(CHEMBL4460323)Show SMILES CC(C)C[C@H](NC(=O)N1CCC(CC1)C(=O)Nc1nccs1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C34H48N6O6S/c1-21(2)17-25(28(41)34(5)20-46-34)36-31(44)27(19-23-9-7-6-8-10-23)37-30(43)26(18-22(3)4)38-33(45)40-14-11-24(12-15-40)29(42)39-32-35-13-16-47-32/h6-10,13,16,21-22,24-27H,11-12,14-15,17-20H2,1-5H3,(H,36,44)(H,37,43)(H,38,45)(H,35,39,42)/t25-,26-,27-,34+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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GoogleScholar
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| PC cid
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| Article
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s immunoproteasome beta5i activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531827
(CHEMBL4452330)Show SMILES COc1ccc(NC(=O)N2CCN(CC2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)cc1 |r| Show InChI InChI=1S/C37H52N6O7/c1-24(2)20-29(32(44)37(5)23-50-37)39-34(46)31(22-26-10-8-7-9-11-26)40-33(45)30(21-25(3)4)41-36(48)43-18-16-42(17-19-43)35(47)38-27-12-14-28(49-6)15-13-27/h7-15,24-25,29-31H,16-23H2,1-6H3,(H,38,47)(H,39,46)(H,40,45)(H,41,48)/t29-,30-,31-,37+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Proteasome subunit beta type-8
(Homo sapiens (Human)) | BDBM50277889
(CARFILZOMIB | CHEMBL451887)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
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UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20s immunoproteasome beta5i activity using Suc-LLVY-AMC as substrate preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
A5LHX3/O14818/P20618/P25786/P25787/P25788/P25789/P28062/P28065/P28066/P28070/P28072/P28074/P40306/P49720/P49721/P60900/Q8TAA3/Q99436
(Homo sapiens (Human)) | BDBM50531824
(CHEMBL4541610)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)C(=O)Nc1cnccn1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1 |r| Show InChI InChI=1S/C35H49N7O6/c1-22(2)17-26(30(43)35(5)21-48-35)38-32(45)27(18-23(3)4)39-33(46)28(19-24-9-7-6-8-10-24)40-34(47)42-15-11-25(12-16-42)31(44)41-29-20-36-13-14-37-29/h6-10,13-14,20,22-23,25-28H,11-12,15-19,21H2,1-5H3,(H,38,45)(H,39,46)(H,40,47)(H,37,41,44)/t26-,27-,28-,35+/m0/s1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Hangzhou Institute of Innovative Medicine
Curated by ChEMBL
| Assay Description
Inhibition of human 20S proteasome preincubated for 15 mins followed by substrate addition |
Eur J Med Chem 164: 602-614 (2019)
Article DOI: 10.1016/j.ejmech.2018.12.064
BindingDB Entry DOI: 10.7270/Q2JM2F38 |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003864
(CHEMBL3235322)Show SMILES CC1(C)Oc2ncnc(N)c2C=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(42.97,-20.87,;41.43,-20.87,;42.2,-22.2,;40.1,-21.65,;38.77,-20.88,;37.43,-21.66,;36.1,-20.89,;36.1,-19.34,;37.43,-18.57,;37.43,-17.03,;38.77,-19.34,;40.09,-18.56,;41.43,-19.32,;42.76,-18.55,;44.09,-19.31,;45.42,-18.54,;45.41,-17,;44.06,-16.23,;42.74,-17.02,;46.74,-16.22,;46.72,-14.68,;48.05,-13.9,;49.39,-14.66,;50.72,-13.89,;52.06,-14.65,;52.07,-16.19,;53.39,-13.88,;49.39,-16.2,;48.07,-16.98,)| Show InChI InChI=1S/C23H27N3O3/c1-23(2)19(12-18-21(24)25-13-26-22(18)29-23)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-20(27)28/h7-10,12-15H,3-6,11H2,1-2H3,(H,27,28)(H2,24,25,26)/t14-,15- | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of DGAT1 (unknown origin) by cell-based assay |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003850
(CHEMBL3235309)Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C |t:13| Show InChI InChI=1S/C18H20N4O3/c1-17(2,16(23)24)11-7-5-10(6-8-11)13-18(3,4)25-15-12(22-13)14(19)20-9-21-15/h5-9H,1-4H3,(H,23,24)(H2,19,20,21) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003854
(CHEMBL3235311)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](O)CC1 |r,wU:19.21,wD:22.25,c:12,(47.9,-48.52,;46.36,-48.52,;47.13,-49.85,;45.03,-49.3,;43.69,-48.53,;42.36,-49.31,;41.02,-48.54,;41.03,-46.99,;42.35,-46.22,;42.35,-44.68,;43.69,-46.99,;45.02,-46.21,;46.35,-46.97,;47.68,-46.2,;49.01,-46.96,;50.34,-46.19,;50.33,-44.65,;48.99,-43.88,;47.66,-44.67,;51.66,-43.87,;51.64,-42.33,;52.98,-41.55,;54.31,-42.31,;55.65,-41.54,;54.32,-43.85,;52.99,-44.63,)| Show InChI InChI=1S/C20H24N4O2/c1-20(2)17(24-16-18(21)22-11-23-19(16)26-20)14-5-3-12(4-6-14)13-7-9-15(25)10-8-13/h3-6,11,13,15,25H,7-10H2,1-2H3,(H2,21,22,23)/t13-,15- | PDB
UniProtKB/SwissProt
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Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003714
(CHEMBL3235324)Show SMILES Cc1nc(N)c2C=C(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(C)(C)Oc2n1 |r,wU:14.14,wD:17.18,t:6,(.07,-32.77,;1.4,-32,;1.41,-30.46,;2.73,-29.69,;2.73,-28.15,;4.07,-30.45,;5.4,-29.68,;6.73,-30.44,;8.06,-29.66,;9.39,-30.43,;10.72,-29.65,;10.71,-28.11,;9.37,-27.35,;8.04,-28.13,;12.04,-27.33,;12.02,-25.79,;13.35,-25.01,;14.69,-25.78,;16.02,-25,;17.36,-25.77,;17.37,-27.31,;18.7,-24.99,;14.7,-27.32,;13.37,-28.09,;6.74,-31.98,;8.28,-31.98,;7.51,-33.32,;5.41,-32.76,;4.07,-31.99,;2.74,-32.77,)| Show InChI InChI=1S/C24H29N3O3/c1-14-26-22(25)19-13-20(24(2,3)30-23(19)27-14)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-21(28)29/h8-11,13,15-16H,4-7,12H2,1-3H3,(H,28,29)(H2,25,26,27)/t15-,16- | PDB
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| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50003807
(CHEMBL3235303)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)C1CCCCC1 |c:12| Show InChI InChI=1S/C20H24N4O/c1-20(2)17(24-16-18(21)22-12-23-19(16)25-20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA |
J Med Chem 57: 3464-83 (2014)
Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W |
More data for this
Ligand-Target Pair | |
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