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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'defois' and Initial = 'm'   
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
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
MMDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605464
PNG
(CHEMBL5188318)
Show SMILES CSc1ncc2cc3cnccc3c(N)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
MMDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605466
PNG
(CHEMBL5194011)
Show SMILES CCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605468
PNG
(CHEMBL5186471)
Show SMILES CCCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605466
PNG
(CHEMBL5194011)
Show SMILES CCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605458
PNG
(CHEMBL5196946)
Show SMILES CCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605468
PNG
(CHEMBL5186471)
Show SMILES CCCCSc1ncc2cc3cnccc3c(N)c2n1
PDB
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605460
PNG
(CHEMBL5208358)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
MMDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB

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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605457
PNG
(CHEMBL5183366)
Show SMILES CSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605465
PNG
(CHEMBL5202187)
Show SMILES CCSc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605468
PNG
(CHEMBL5186471)
Show SMILES CCCCSc1ncc2cc3cnccc3c(N)c2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605458
PNG
(CHEMBL5196946)
Show SMILES CCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605466
PNG
(CHEMBL5194011)
Show SMILES CCCSc1ncc2cc3cnccc3c(N)c2n1
PDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605472
PNG
(CHEMBL5208474)
Show SMILES COc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50587785
PNG
(CHEMBL5178368)
Show SMILES CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
PDB
MMDB

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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605459
PNG
(CHEMBL5198375)
Show SMILES CCCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605469
PNG
(CHEMBL5190257)
Show SMILES CCC(C)Sc1ncc2cc3cnccc3c(N)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605457
PNG
(CHEMBL5183366)
Show SMILES CSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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n/an/a 294n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50605473
PNG
(CHEMBL5186093)
Show SMILES Nc1ccc2cc3cnccc3c([N+]([O-])=O)c2n1
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n/an/a 418n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605470
PNG
(CHEMBL5179862)
Show SMILES CCCCCSc1ncc2cc3cnccc3c(N)c2n1
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n/an/a 432n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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n/an/a 445n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605462
PNG
(CHEMBL5181571)
Show SMILES CCC(C)Sc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605458
PNG
(CHEMBL5196946)
Show SMILES CCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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n/an/a 515n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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n/an/a 578n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605467
PNG
(CHEMBL5177344)
Show SMILES CC(C)Sc1ncc2cc3cnccc3c(N)c2n1
PDB

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n/an/a 594n/an/an/an/an/an/a


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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605463
PNG
(CHEMBL5181177)
Show SMILES CCOC(=O)CCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
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n/an/a 897n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605457
PNG
(CHEMBL5183366)
Show SMILES CSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
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n/an/a 916n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50605471
PNG
(CHEMBL5181620)
Show SMILES COc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB

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n/an/a 917n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50605461
PNG
(CHEMBL5198391)
Show SMILES CCCCSc1ncc2cc3cnccc3c([N+]([O-])=O)c2n1
PDB
MMDB

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n/an/a 1.04E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114369
BindingDB Entry DOI: 10.7270/Q2HQ440P
More data for this
Ligand-Target Pair