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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'nicholson' and Initial = 'b'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50436151
PNG
(CHEMBL2398212)
Show SMILES Clc1ccc-2c(c1)C(=O)c1nc(C#N)c(nc-21)C#N
Show InChI InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
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n/an/a 420n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a 3.80E+3n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 21


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a 1.66E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP21 (unknown origin) using ubiquitin-Rh110 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50436149
PNG
(CHEMBL2398214)
Show SMILES CCN(CCCNC(=O)c1ccc2nc3CCCCc3c(Cl)c2c1)Cc1ccccc1
Show InChI InChI=1S/C26H30ClN3O/c1-2-30(18-19-9-4-3-5-10-19)16-8-15-28-26(31)20-13-14-24-22(17-20)25(27)21-11-6-7-12-23(21)29-24/h3-5,9-10,13-14,17H,2,6-8,11-12,15-16,18H2,1H3,(H,28,31)
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n/an/a 2.26E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50436150
PNG
(CHEMBL2398213)
Show SMILES CN(CCCNC(=O)c1ccc2nc3CCCCc3c(Cl)c2c1)Cc1ccccc1
Show InChI InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
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n/an/a 2.81E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of USP7 (unknown origin) using ubiquitin-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 2


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP2 (unknown origin) using diubiquitin IQF K4804 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 8


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of USP8 (unknown origin) using ubiquitin-Rh110 as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Sentrin-specific protease 1


(Homo sapiens (Human))
BDBM50436152
PNG
(SPONGIACIDIN C)
Show SMILES O=C1NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H10N4O3/c16-9-7-5(1-3-12-7)6(2-4-13-9)8-10(17)15-11(18)14-8/h1,3,12H,2,4H2,(H,13,16)(H2,14,15,17,18)/b8-6-
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n/an/a>3.16E+4n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of core catalytic domain of SENP1 (unknown origin) using SUMO3-EKL as substrate


Bioorg Med Chem Lett 23: 3884-6 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.066
BindingDB Entry DOI: 10.7270/Q29P332K
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393437
PNG
(CHEMBL2159495)
Show SMILES CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
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n/an/an/an/a 4.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393438
PNG
(CHEMBL2159496)
Show SMILES CC(=O)c1cc(c(Sc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9NO3S2/c1-8(14)11-7-10(13(15)16)12(18-11)17-9-5-3-2-4-6-9/h2-7H,1H3
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n/an/an/an/a>3.16E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393439
PNG
(CHEMBL2159497)
Show SMILES CC(=O)c1cc(c(Sc2ccc(Cl)cc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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n/an/an/an/a 6.90E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393440
PNG
(CHEMBL2159498)
Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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n/an/an/an/a 8.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393441
PNG
(CHEMBL2159499)
Show SMILES CC(=O)c1cc(c(Sc2c(Cl)cccc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-9(15(17)18)12(19-10)20-11-7(13)3-2-4-8(11)14/h2-5H,1H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393442
PNG
(CHEMBL2159501)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cncc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C16H16Cl2N4O3S2/c1-21-4-2-9(3-5-21)20-15(23)13-6-12(22(24)25)16(26-13)27-14-10(17)7-19-8-11(14)18/h6-9H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a 1.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393443
PNG
(CHEMBL2159502)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cccc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C17H17Cl2N3O3S2/c1-21-7-5-10(6-8-21)20-16(23)14-9-13(22(24)25)17(26-14)27-15-11(18)3-2-4-12(15)19/h2-4,9-10H,5-8H2,1H3,(H,20,23)
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n/an/an/an/a 7.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393444
PNG
(CHEMBL2159503)
Show SMILES CN(C)CCCOc1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20Cl2N4O4S2/c1-26(2)8-3-9-31-14-6-4-13(5-7-14)25-20(28)18-10-17(27(29)30)21(32-18)33-19-15(22)11-24-12-16(19)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,28)
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n/an/an/an/a 380n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393445
PNG
(CHEMBL2159504)
Show SMILES COc1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H11Cl2N3O4S2/c1-26-10-4-2-9(3-5-10)21-16(23)14-6-13(22(24)25)17(27-14)28-15-11(18)7-20-8-12(15)19/h2-8H,1H3,(H,21,23)
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n/an/an/an/a 430n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393446
PNG
(CHEMBL2159505)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H11Cl2N3O5S3/c1-30(26,27)10-4-2-9(3-5-10)21-16(23)14-6-13(22(24)25)17(28-14)29-15-11(18)7-20-8-12(15)19/h2-8H,1H3,(H,21,23)
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n/an/an/an/a 400n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393438
PNG
(CHEMBL2159496)
Show SMILES CC(=O)c1cc(c(Sc2ccccc2)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H9NO3S2/c1-8(14)11-7-10(13(15)16)12(18-11)17-9-5-3-2-4-6-9/h2-7H,1H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393439
PNG
(CHEMBL2159497)
Show SMILES CC(=O)c1cc(c(Sc2ccc(Cl)cc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393440
PNG
(CHEMBL2159498)
Show SMILES CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3
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n/an/an/an/a 8.70E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393441
PNG
(CHEMBL2159499)
Show SMILES CC(=O)c1cc(c(Sc2c(Cl)cccc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-9(15(17)18)12(19-10)20-11-7(13)3-2-4-8(11)14/h2-5H,1H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393450
PNG
(CHEMBL2159500)
Show SMILES CC(=O)c1cc(c(Sc2c(Cl)cncc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C11H6Cl2N2O3S2/c1-5(16)9-2-8(15(17)18)11(19-9)20-10-6(12)3-14-4-7(10)13/h2-4H,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393442
PNG
(CHEMBL2159501)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cncc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C16H16Cl2N4O3S2/c1-21-4-2-9(3-5-21)20-15(23)13-6-12(22(24)25)16(26-13)27-14-10(17)7-19-8-11(14)18/h6-9H,2-5H2,1H3,(H,20,23)
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n/an/an/an/a 1.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393443
PNG
(CHEMBL2159502)
Show SMILES CN1CCC(CC1)NC(=O)c1cc(c(Sc2c(Cl)cccc2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C17H17Cl2N3O3S2/c1-21-7-5-10(6-8-21)20-16(23)14-9-13(22(24)25)17(26-14)27-15-11(18)3-2-4-12(15)19/h2-4,9-10H,5-8H2,1H3,(H,20,23)
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n/an/an/an/a 5.50E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393444
PNG
(CHEMBL2159503)
Show SMILES CN(C)CCCOc1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20Cl2N4O4S2/c1-26(2)8-3-9-31-14-6-4-13(5-7-14)25-20(28)18-10-17(27(29)30)21(32-18)33-19-15(22)11-24-12-16(19)23/h4-7,10-12H,3,8-9H2,1-2H3,(H,25,28)
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n/an/an/an/a 530n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393445
PNG
(CHEMBL2159504)
Show SMILES COc1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H11Cl2N3O4S2/c1-26-10-4-2-9(3-5-10)21-16(23)14-6-13(22(24)25)17(27-14)28-15-11(18)7-20-8-12(15)19/h2-8H,1H3,(H,21,23)
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n/an/an/an/a 870n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393446
PNG
(CHEMBL2159505)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(c(Sc3c(Cl)cncc3Cl)s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H11Cl2N3O5S3/c1-30(26,27)10-4-2-9(3-5-10)21-16(23)14-6-13(22(24)25)17(28-14)29-15-11(18)7-20-8-12(15)19/h2-8H,1H3,(H,21,23)
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n/an/an/an/a 500n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393447
PNG
(CHEMBL2159506)
Show SMILES CC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)s1
Show InChI InChI=1S/C13H7Cl2NOS2/c1-7(17)12-4-8(6-16)13(19-12)18-11-3-2-9(14)5-10(11)15/h2-5H,1H3
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n/an/an/an/a>3.16E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393448
PNG
(CHEMBL2159507)
Show SMILES CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1
Show InChI InChI=1S/C22H20Cl2N4O2S2/c1-28(2)8-3-9-30-16-6-4-15(5-7-16)27-21(29)19-10-14(11-25)22(31-19)32-20-17(23)12-26-13-18(20)24/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,27,29)
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n/an/an/an/a 350n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393449
PNG
(CHEMBL2159508)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1
Show InChI InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)
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n/an/an/an/a 1.00E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393447
PNG
(CHEMBL2159506)
Show SMILES CC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)s1
Show InChI InChI=1S/C13H7Cl2NOS2/c1-7(17)12-4-8(6-16)13(19-12)18-11-3-2-9(14)5-10(11)15/h2-5H,1H3
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n/an/an/an/a 1.90E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393448
PNG
(CHEMBL2159507)
Show SMILES CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1
Show InChI InChI=1S/C22H20Cl2N4O2S2/c1-28(2)8-3-9-30-16-6-4-15(5-7-16)27-21(29)19-10-14(11-25)22(31-19)32-20-17(23)12-26-13-18(20)24/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,27,29)
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n/an/an/an/a 380n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 7


(Homo sapiens (Human))
BDBM50393449
PNG
(CHEMBL2159508)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1
Show InChI InChI=1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)
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n/an/an/an/a 420n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant USP7 expressed in Sf9 cells by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase 47


(Homo sapiens (Human))
BDBM50393437
PNG
(CHEMBL2159495)
Show SMILES CC(=O)c1cc(c(Sc2cccc(Cl)c2Cl)s1)[N+]([O-])=O
Show InChI InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of USP47 by Ub-CHOP reporter assay


ACS Med Chem Lett 3: 789-792 (2012)


Article DOI: 10.1021/ml200276j
BindingDB Entry DOI: 10.7270/Q2154J51
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50030765
PNG
(NPI-2358 | Plinabulin)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
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n/an/an/a 1.06E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50485035
PNG
(CHEMBL2024561)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cccc(c2)C(=O)c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C26H24N4O3/c1-26(2,3)23-19(27-15-28-23)14-21-25(33)29-20(24(32)30-21)13-16-8-7-11-18(12-16)22(31)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,27,28)(H,29,33)(H,30,32)/b20-13-,21-14-
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n/an/an/a 620n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485036
PNG
(CHEMBL2024544)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cc(F)ccc2F)[nH]c1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-6-11(20)4-5-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7-,15-8-
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n/an/an/a 200n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566321
PNG
(CHEMBL4867267)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566322
PNG
(CHEMBL4853705)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566323
PNG
(CHEMBL4860414)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(F)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 0.900n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566324
PNG
(CHEMBL4851358)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 1.30n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566325
PNG
(CHEMBL4846860)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566326
PNG
(CHEMBL4860893)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(N)ncnc12 |r|
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n/an/an/an/a 2.30n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566327
PNG
(CHEMBL4868831)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

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PDB
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n/an/an/an/a 4.70n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566328
PNG
(CHEMBL4869259)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 4n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566329
PNG
(CHEMBL4868773)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@@H]2Oc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a 38n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566330
PNG
(CHEMBL4874774)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Br)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

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n/an/an/an/a<0.5n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566331
PNG
(CHEMBL4874354)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(Cl)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/an/an/a 2.5n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 5


(Homo sapiens (Human))
BDBM50566332
PNG
(CHEMBL4848739)
Show SMILES [H][C@]12O[C@H]([C@H](O)[C@@]1(O)CC[C@H]2Cc1ccc2cc(F)c(N)nc2c1)n1ccc2c(C)ncnc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/an/an/an/a


TBA

Assay Description
Inhibition of PRMT5 (unknown origin) assessed as inhibition of symmetric dimethylation of arginine incubated for 3 days by fluorescence based cellula...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02083
BindingDB Entry DOI: 10.7270/Q2R78K0X
More data for this
Ligand-Target Pair
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