Found 51 hits with Last Name = 'zakharov' and Initial = 'av' 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 |
|---|
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM60981
((2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-methyl-a...)Show InChI InChI=1S/C15H13N3S/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13/h2-11H,1H3/b16-15+ | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593129
(CHEMBL5186713)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Cl)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| | PDB
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| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593130
(CHEMBL5195898)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(Br)cc1 |r,wU:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.95,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| | PDB
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593131
(CHEMBL5207800)Show SMILES Cc1ccc(cc1)-c1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:19.20,(7.83,-3.19,;6.34,-2.79,;5.95,-1.3,;4.46,-.9,;3.37,-1.99,;3.77,-3.48,;5.26,-3.87,;1.88,-1.59,;1.41,-.13,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;-.9,1.21,;-.9,2.75,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593124
(CHEMBL5207416)Show SMILES CC(C)(NC(=O)O[C@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wD:7.6,(-.9,2.75,;-.9,1.21,;.43,1.98,;-2.44,1.21,;-3.21,2.54,;-2.44,3.87,;-4.75,2.54,;-5.52,1.21,;-7.06,1.21,;-7.83,-.13,;-7.06,-1.46,;-5.52,-1.46,;-4.75,-.13,;-6.1,.59,;-6.5,-.9,;-.13,-.13,;-.61,-1.59,;.64,-2.5,;1.88,-1.59,;1.41,-.13,;3.37,-1.99,;4.46,-.9,;5.94,-1.3,;6.34,-2.79,;7.83,-3.19,;5.26,-3.87,;3.77,-3.48,)| | PDB
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM65518
(5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-...)Show SMILES CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 |w:4.3| Show InChI InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16- | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593128
(CHEMBL5173209)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccccc1 |r,wU:7.6,(-.16,2.75,;-.16,1.21,;1.18,1.98,;-1.7,1.21,;-2.47,2.54,;-1.7,3.87,;-4.01,2.54,;-4.78,1.21,;-6.32,1.21,;-7.09,-.13,;-6.32,-1.46,;-4.78,-1.46,;-4.01,-.13,;-5.36,.59,;-5.75,-.9,;.61,-.13,;.14,-1.59,;1.38,-2.5,;2.63,-1.59,;2.15,-.13,;4.12,-1.99,;5.21,-.9,;6.69,-1.3,;7.09,-2.79,;6.01,-3.87,;4.52,-3.48,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593132
(CHEMBL5190365)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(cc1)C(F)(F)F |r,wU:7.6,(-1.64,3.15,;-1.64,1.61,;-.31,2.38,;-3.18,1.61,;-3.95,2.94,;-3.18,4.27,;-5.49,2.94,;-6.27,1.61,;-7.81,1.61,;-8.58,.27,;-7.81,-1.06,;-6.27,-1.06,;-5.49,.27,;-6.84,.99,;-7.24,-.5,;-.87,.27,;-1.35,-1.19,;-.1,-2.1,;1.14,-1.19,;.67,.27,;2.63,-1.59,;3.72,-.5,;5.2,-.9,;5.6,-2.39,;4.52,-3.47,;3.03,-3.08,;7.09,-2.79,;8.18,-1.7,;7.49,-4.27,;8.58,-3.19,)| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM50442907
(Acetyl Isogambogic Acid | CHEMBL3039433)Show SMILES [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48| Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1 | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM205457
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | PDB
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| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM50242207
(CHEMBL455364 | Mangiferin)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1 | PDB
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| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 15
(Homo sapiens (Human)) | BDBM50442907
(Acetyl Isogambogic Acid | CHEMBL3039433)Show SMILES [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48| Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1 | PDB
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| n/a | n/a | 1.11E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM65518
(5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-...)Show SMILES CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 |w:4.3| Show InChI InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16- | PDB
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| n/a | n/a | 1.41E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM50442907
(Acetyl Isogambogic Acid | CHEMBL3039433)Show SMILES [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48| Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1 | PDB
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| n/a | n/a | 1.54E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM65518
(5-Chloro-1-[(2,5-dichlorophenyl)methyl]-1H-indole-...)Show SMILES CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc12 |w:4.3| Show InChI InChI=1S/C17H11Cl3N2O3/c1-9(23)25-21-16-13-7-12(19)3-5-15(13)22(17(16)24)8-10-6-11(18)2-4-14(10)20/h2-7H,8H2,1H3/b21-16- | PDB
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| n/a | n/a | 1.62E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM50442907
(Acetyl Isogambogic Acid | CHEMBL3039433)Show SMILES [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48| Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1 | PDB
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| n/a | n/a | 1.82E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM200235
(Rifampicin | cid_5381226)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(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 |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM200235
(Rifampicin | cid_5381226)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(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 |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM200235
(Rifampicin | cid_5381226)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(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 |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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| n/a | n/a | 2.48E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM205457
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.87E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM50242207
(CHEMBL455364 | Mangiferin)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM205457
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.21E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 15
(Homo sapiens (Human)) | BDBM205457
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 3.28E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM50442907
(Acetyl Isogambogic Acid | CHEMBL3039433)Show SMILES [H]C12[#6]-[#6@H]-3-[#6]=[#6]4-[#6](=O)-c5c(-[#8]-[#6](-[#6])=O)c6-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c6c(-[#6]\[#6]=[#6](\[#6])-[#6])c5-[#8][C@@]14C([#6]\[#6]=[#6](/[#6])-[#6](-[#8])=O)([#8]C2([#6])[#6])[#6]-3=O |r,c:15,t:4,TLB:34:35:44.45:48.3.2,4:3:35:44.45,THB:5:35:44.45:48.3.2,49:48:35:44.45,45:1:5.4:36.48| Show InChI InChI=1S/C40H46O9/c1-21(2)11-10-16-38(9)17-15-27-32(47-38)26(13-12-22(3)4)34-30(33(27)46-24(6)41)31(42)28-19-25-20-29-37(7,8)49-39(35(25)43,40(28,29)48-34)18-14-23(5)36(44)45/h11-12,14-15,17,19,25,29H,10,13,16,18,20H2,1-9H3,(H,44,45)/b23-14+/t25-,29?,38?,39?,40-/m1/s1 | PDB
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PubMed
| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 15
(Homo sapiens (Human)) | BDBM200235
(Rifampicin | cid_5381226)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(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 |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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PubMed
| n/a | n/a | 4.61E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L1
(Homo sapiens (Human)) | BDBM65524
((-)-Aricine | Heterophylline (VAN) | Quinovatine)Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4| Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1 | PDB
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Similars
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PubMed
| n/a | n/a | 4.77E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM50242207
(CHEMBL455364 | Mangiferin)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 5.26E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 15
(Homo sapiens (Human)) | BDBM50242207
(CHEMBL455364 | Mangiferin)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1 | PDB
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PubMed
| n/a | n/a | 5.66E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM205457
((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O |r,c:1,6,11,t:9| Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | PDB
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UniChem
| Article
PubMed
| n/a | n/a | 5.66E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM200235
(Rifampicin | cid_5381226)Show SMILES CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2C(=O)\C(=C\NN4CCN(C)CC4)C(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 |wU:45.47,41.43,37.39,43.45,35.37,6.6,wD:2.1,39.41,50.53,c:33,t:3,35,54,(15.1,-5.61,;13.64,-5.11,;13.35,-3.6,;14.73,-2.92,;16.01,-3.78,;17.39,-3.1,;17.5,-1.56,;18.99,-1.94,;18.12,-.17,;16.98,.86,;15.65,.09,;15.97,-1.41,;16.45,-2.87,;14.32,.86,;12.94,.04,;14.28,-.72,;11.54,.83,;10.21,.05,;9.44,1.38,;9.43,2.92,;8.1,3.69,;8.09,5.23,;9.42,6,;9.42,7.54,;10.76,5.24,;10.76,3.7,;11.54,2.43,;10.16,1.76,;9.14,.62,;9.33,-.91,;7.86,1.48,;7.43,2.96,;6.47,.8,;6.37,-.73,;4.99,-1.41,;4.49,-2.87,;3.08,-2.24,;5.5,-4.03,;4.48,-5.18,;7.04,-4.13,;6.8,-5.65,;7.9,-2.85,;7.67,-1.33,;9.41,-2.56,;10.9,-2.2,;10.69,-3.42,;10.98,-4.93,;10.48,-6.38,;11.5,-7.54,;8.97,-6.68,;12.07,-2.74,;13.58,-2.44,;12.94,3.22,;12.96,4.76,;14.32,2.4,;15.65,3.17,;15.65,4.71,;16.98,2.4,;18.32,3.17,)| Show InChI InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 | PDB
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PubMed
| n/a | n/a | 6.28E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM50242207
(CHEMBL455364 | Mangiferin)Show SMILES OC[C@H]1O[C@@H](Oc2c(O)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)[C@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18O12/c20-4-11-14(25)16(27)17(28)19(30-11)31-18-8(23)3-10-12(15(18)26)13(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,14,16-17,19-23,25-28H,4H2/t11-,14-,16+,17-,19+/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 6.78E+4 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593125
(CHEMBL5205982) | PDB
Reactome pathway
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593134
(CHEMBL5170768)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(CCC(O)=O)cc1 |r,wU:7.6,(-4.96,3.4,;-4.96,1.86,;-3.63,2.63,;-6.5,1.86,;-7.27,3.19,;-6.5,4.53,;-8.81,3.19,;-9.58,1.86,;-11.12,1.86,;-11.89,.53,;-11.12,-.81,;-9.58,-.81,;-8.81,.53,;-10.16,1.24,;-10.56,-.24,;-4.19,.53,;-4.67,-.94,;-3.42,-1.84,;-2.18,-.94,;-2.65,.53,;-.69,-1.34,;.4,-.25,;1.88,-.65,;2.28,-2.13,;3.77,-2.53,;4.86,-1.44,;6.35,-1.84,;7.43,-.75,;6.75,-3.34,;1.2,-3.22,;-.29,-2.83,)| | PDB
Reactome pathway
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593133
(CHEMBL5206916)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(\C=C\C(O)=O)cc1 |r,wU:7.6,(-4.96,3.4,;-4.96,1.86,;-3.63,2.63,;-6.5,1.86,;-7.27,3.19,;-6.5,4.53,;-8.81,3.19,;-9.58,1.86,;-11.12,1.86,;-11.89,.53,;-11.12,-.81,;-9.58,-.81,;-8.81,.53,;-10.16,1.24,;-10.56,-.24,;-4.19,.53,;-4.67,-.94,;-3.42,-1.84,;-2.18,-.94,;-2.65,.53,;-.69,-1.34,;.4,-.25,;1.88,-.65,;2.28,-2.13,;3.77,-2.53,;4.86,-1.44,;6.35,-1.84,;7.43,-.75,;6.74,-3.33,;1.2,-3.22,;-.29,-2.83,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593126
(CHEMBL5187805)Show SMILES CC(C)(NC(=O)OC1CCCCC1)c1csc(n1)-c1ccc(F)cc1 | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593127
(CHEMBL5173370)Show SMILES Cc1nc(cs1)C(C)(C)NC(=O)O[C@@H]1CN2CCC1CC2 |r,wU:13.13,(5.6,-2.68,;4.11,-2.28,;3.64,-.82,;2.1,-.82,;1.62,-2.28,;2.87,-3.19,;1.33,.52,;1.33,2.06,;2.66,1.29,;-.21,.52,;-.98,1.85,;-.21,3.19,;-2.52,1.85,;-3.29,.52,;-4.83,.52,;-5.6,-.82,;-4.83,-2.15,;-3.29,-2.15,;-2.52,-.82,;-3.87,-.1,;-4.27,-1.59,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM65524
((-)-Aricine | Heterophylline (VAN) | Quinovatine)Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4| Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1 | PDB
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| n/a | n/a | >1.14E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM65524
((-)-Aricine | Heterophylline (VAN) | Quinovatine)Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4| Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1 | PDB
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University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM65524
((-)-Aricine | Heterophylline (VAN) | Quinovatine)Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4| Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1 | PDB
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PubMed
| n/a | n/a | >1.14E+5 | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L5
(Homo sapiens (Human)) | BDBM50069762
(CHEMBL3182437 | ML323 | US9802904, 87)Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) | PDB
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University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 2
(Homo sapiens (Human)) | BDBM50069762
(CHEMBL3182437 | ML323 | US9802904, 87)Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) | PDB
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University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase 15
(Homo sapiens (Human)) | BDBM65524
((-)-Aricine | Heterophylline (VAN) | Quinovatine)Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 |t:4| Show InChI InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1 | PDB
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University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
Ubiquitin carboxyl-terminal hydrolase isozyme L3
(Homo sapiens (Human)) | BDBM50069762
(CHEMBL3182437 | ML323 | US9802904, 87)Show SMILES CC(C)c1ccccc1-c1ncc(C)c(NCc2ccc(cc2)-n2ccnn2)n1 Show InChI InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) | PDB
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University of Delaware
| Assay Description
Ubiquitin-7-amino-4-methylcoumarin (Ub-AMC) was generated as previously described.(7) The enzymatic reaction was conducted in fluorometric assay buff... |
ACS Chem Biol 12: 2399-2407 (2017)
Article DOI: 10.1021/acschembio.7b00543
BindingDB Entry DOI: 10.7270/Q21J97WD |
More data for this
Ligand-Target Pair | |
N-terminal Xaa-Pro-Lys N-methyltransferase 1
(Homo sapiens) | BDBM50593123
(GENZ-682452 | GZ-402671 | GZ/SAR402671 | GZ402671 ...)Show SMILES CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(n1)-c1ccc(F)cc1 |r,wU:7.6,(-6.59,.2,;-5.85,-1.18,;-5.38,.09,;-4.52,-1.95,;-3.19,-1.18,;-3.19,.36,;-1.85,-1.95,;-.52,-1.18,;.81,-1.95,;2.15,-1.18,;2.15,.36,;.81,1.13,;-.52,.36,;.5,.07,;1.39,-.44,;-7.1,-2.08,;-7.1,-3.62,;-8.57,-4.1,;-9.47,-2.85,;-8.57,-1.6,;-11.01,-2.85,;-11.78,-1.52,;-13.32,-1.52,;-14.09,-2.85,;-15.63,-2.85,;-13.32,-4.18,;-11.78,-4.18,)| | PDB
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TBA
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Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01050
BindingDB Entry DOI: 10.7270/Q2SN0DXC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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