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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'he' and Initial = 'zx'   
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
DCN1-like protein 1


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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UniChem
Article
PubMed
8.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN1 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50525313
PNG
(CHEMBL4592844)
Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N
Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN1 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 4


(Homo sapiens)
BDBM50525313
PNG
(CHEMBL4592844)
Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N
Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3
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810n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN4 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 5


(Homo sapiens)
BDBM50525313
PNG
(CHEMBL4592844)
Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N
Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3
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2.14E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN5 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 2


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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1.88E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN2 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 4


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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2.24E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN4 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 5


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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2.89E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN5 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 2


(Homo sapiens)
BDBM50525313
PNG
(CHEMBL4592844)
Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N
Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3
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6.62E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN2 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 3


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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3.85E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN3 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 3


(Homo sapiens)
BDBM50525313
PNG
(CHEMBL4592844)
Show SMILES Cc1ccc(cc1)-c1nc(SCC#C)nc(Sc2nccs2)c1C#N
Show InChI InChI=1S/C18H12N4S3/c1-3-9-23-17-21-15(13-6-4-12(2)5-7-13)14(11-19)16(22-17)25-18-20-8-10-24-18/h1,4-8,10H,9H2,2H3
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5.92E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to DCN3 (unknown origin) assessed as inhibitory constant


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50589142
PNG
(CHEMBL5184459)
Show SMILES Cn1cc(cn1)-c1ccc(=O)n(CC2CN(CCO2)c2ncc(OCC3CCNCC3)cn2)n1
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n/an/a 0.0190n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50589150
PNG
(CHEMBL5189340)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)cc1
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n/an/a 0.0230n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50589141
PNG
(CHEMBL5174958)
Show SMILES O=c1ccc(nn1CC1CN(CCO1)c1ncc(cn1)-c1cnn(c1)C1CCNCC1)-c1cccnc1
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n/an/a 0.0350n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
PubMed
n/an/a 0.0600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50589147
PNG
(CHEMBL5186748)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)c3nn(cc(C)c3=O)-c3ccc(Cl)cc3)cc2)ccn1
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n/an/a 0.120n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50525311
PNG
(CHEMBL4448070)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCC#C)nc(Sc2nnnn2C)c1C#N
Show InChI InChI=1S/C19H17N7O3S2/c1-6-7-30-18-21-15(11-8-13(27-3)16(29-5)14(9-11)28-4)12(10-20)17(22-18)31-19-23-24-25-26(19)2/h1,8-9H,7H2,2-5H3
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n/an/a 0.25n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50589150
PNG
(CHEMBL5189340)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)cc1
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n/an/a 0.450n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50589140
PNG
(CHEMBL5190707)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(ccc4=O)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
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n/an/a 0.600n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14046
PNG
(Aminofurazanyl-azabenzimidazole 6m | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN(C)C)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C27H28N8O4/c1-4-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-7-5-6-18(14-20)30-27(36)17-8-10-19(11-9-17)37-13-12-34(2)3/h5-11,14-16H,4,12-13H2,1-3H3,(H2,28,33)(H,30,36)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14045
PNG
(Aminofurazanyl-azabenzimidazole 6l | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN5CCOCC5)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C28H28N8O4/c1-2-36-23-15-24(30-16-22(23)32-27(36)25-26(29)34-40-33-25)39-21-5-3-4-20(14-21)31-28(37)19-8-6-18(7-9-19)17-35-10-12-38-13-11-35/h3-9,14-16H,2,10-13,17H2,1H3,(H2,29,34)(H,31,37)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14044
PNG
(Aminofurazanyl-azabenzimidazole 6k | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN(C)C)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C26H26N8O3/c1-4-34-21-13-22(28-14-20(21)30-25(34)23-24(27)32-37-31-23)36-19-7-5-6-18(12-19)29-26(35)17-10-8-16(9-11-17)15-33(2)3/h5-14H,4,15H2,1-3H3,(H2,27,32)(H,29,35)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14043
PNG
(Aminofurazanyl-azabenzimidazole 6j | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(CN)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C24H22N8O3/c1-2-32-19-11-20(27-13-18(19)29-23(32)21-22(26)31-35-30-21)34-17-5-3-4-16(10-17)28-24(33)15-8-6-14(12-25)7-9-15/h3-11,13H,2,12,25H2,1H3,(H2,26,31)(H,28,33)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14042
PNG
(Aminofurazanyl-azabenzimidazole 6i | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N4CCOCC4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C27H26N8O4/c1-2-35-22-15-23(29-16-21(22)31-26(35)24-25(28)33-39-32-24)38-20-5-3-4-18(14-20)30-27(36)17-6-8-19(9-7-17)34-10-12-37-13-11-34/h3-9,14-16H,2,10-13H2,1H3,(H2,28,33)(H,30,36)
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n/an/a<1n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50589144
PNG
(CHEMBL5208686)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(cc2)-c2ccc(=O)[nH]n2)ccc1Cl
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n/an/a 1.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50589145
PNG
(CHEMBL5177149)
Show SMILES COc1ccc(Nc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)nn1
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n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14047
PNG
(Aminofurazanyl-azabenzimidazole 6n | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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n/an/a 1.80n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14035
PNG
(Aminofurazanyl-azabenzimidazole 6c | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(C)=O)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C18H17N7O3/c1-3-25-14-8-15(27-12-6-4-5-11(7-12)21-10(2)26)20-9-13(14)22-18(25)16-17(19)24-28-23-16/h4-9H,3H2,1-2H3,(H2,19,24)(H,21,26)
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n/an/a 1.80n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14041
PNG
(Aminofurazanyl-azabenzimidazole 6h | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccc(cc4)N(C)C)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C25H24N8O3/c1-4-33-20-13-21(27-14-19(20)29-24(33)22-23(26)31-36-30-22)35-18-7-5-6-16(12-18)28-25(34)15-8-10-17(11-9-15)32(2)3/h5-14H,4H2,1-3H3,(H2,26,31)(H,28,34)
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n/an/a 2n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584177
PNG
(CHEMBL5076401)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc3ccccc3c2)nc(Sc2nnnn2CCN(C)C)c1C#N
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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n/an/a 2.5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589143
PNG
(CHEMBL5174011)
Show SMILES CC1CC(CC(=O)N1C1CCC1)C(=O)c1cc(CC2=NNC(=O)C(C)C2C)ccc1F |t:20|
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50288530
PNG
(CHEMBL4098253)
Show SMILES COC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584172
PNG
(CHEMBL5075399)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(C)cc2)nc(Sc2nnnn2C)c1C#N
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14040
PNG
(Aminofurazanyl-azabenzimidazole 6g | N-(3-{[2-(4-a...)
Show SMILES CCn1c(nc2cnc(Oc3cccc(NC(=O)c4ccccc4)c3)cc12)-c1nonc1N
Show InChI InChI=1S/C23H19N7O3/c1-2-30-18-12-19(25-13-17(18)27-22(30)20-21(24)29-33-28-20)32-16-10-6-9-15(11-16)26-23(31)14-7-4-3-5-8-14/h3-13H,2H2,1H3,(H2,24,29)(H,26,31)
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n/an/a 4n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589154
PNG
(CHEMBL5176058)
Show SMILES COC1CCN(C1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a 4.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM14033
PNG
(4-{1-ethyl-6-methoxy-1H-imidazo[4,5-c]pyridin-2-yl...)
Show SMILES CCn1c(nc2cnc(OC)cc12)-c1nonc1N
Show InChI InChI=1S/C11H12N6O2/c1-3-17-7-4-8(18-2)13-5-6(7)14-11(17)9-10(12)16-19-15-9/h4-5H,3H2,1-2H3,(H2,12,16)
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n/an/a 4.40n/an/an/an/a7.422



GlaxoSmithKline



Assay Description
The assay of Rock-1 activity involved incubation with peptide substrate and ATP/[gamma-33P] ATP, the subsequent incorporation of 33P into the peptid...


J Med Chem 50: 2-5 (2007)


Article DOI: 10.1021/jm060873p
BindingDB Entry DOI: 10.7270/Q2F18WZB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589155
PNG
(CHEMBL5196674)
Show SMILES COC1CCCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a 4.70n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584163
PNG
(CHEMBL5070367)
Show SMILES COC(=O)c1ccc(CSc2nc(Sc3nccs3)c(C#N)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584157
PNG
(CHEMBL5091659)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(C)c2)nc(Sc2nccs2)c1C#N
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n/an/a 5.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584169
PNG
(CHEMBL5092564)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc3ccccc3c2)nc(Sc2nnnn2C)c1C#N
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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589152
PNG
(CHEMBL5179574)
Show SMILES ONC(=O)\C=C\c1ccc(CCCCCCc2n[nH]c(=O)c3cc(F)ccc23)cc1
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n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589153
PNG
(CHEMBL5185911)
Show SMILES COC1CN(C1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
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n/an/a 8.20n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
Histone acetyltransferase p300


(Homo sapiens (Human))
BDBM50562134
PNG
(CHEMBL4794518)
Show SMILES CCNC(=O)c1ccc2c(c[nH]c2c1)C(=O)[C@H](NC[C@@H](C)c1ccc(cc1)C#N)c1ccccc1 |r|
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n/an/a 8.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged p300 HAT (unknown origin) (1287 to 1666 residues) expressed in Escherichia coli using biotinylated H3(1-21) pepti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112861
BindingDB Entry DOI: 10.7270/Q2CC14D7
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584179
PNG
(CHEMBL5086499)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(C)cc2)nc(Sc2nnnn2CCN(C)C)c1C#N
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Article
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n/an/a 9.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584167
PNG
(CHEMBL5085822)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(Cl)cc2)nc(Sc2nnnn2C)c1C#N
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n/an/a 9.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584170
PNG
(CHEMBL5082310)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(C)c2)nc(Sc2nnnn2C)c1C#N
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584160
PNG
(CHEMBL5078162)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2ccc(cc2)C(C)(C)C)nc(Sc2nccs2)c1C#N
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584173
PNG
(CHEMBL5089618)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(c2)C(F)(F)F)nc(Sc2nnnn2CCN(C)C)c1C#N
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
DCN1-like protein 1


(Homo sapiens)
BDBM50584178
PNG
(CHEMBL5091608)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(SCc2cccc(C)c2)nc(Sc2nnnn2CCN(C)C)c1C#N
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged DCN1 (unknown origin) using AcUBE2M1-21 incubated for 30 mins by HTRF assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01207
BindingDB Entry DOI: 10.7270/Q2JD51NJ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50589157
PNG
(CHEMBL5180625)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)c1c2ccccc2nc2ccccc12
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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112946
BindingDB Entry DOI: 10.7270/Q2WW7NNP
More data for this
Ligand-Target Pair
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