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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50001852   
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))
BDBM50406883
PNG
(CHEMBL4177432)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(O)c1
Show InChI InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406885
PNG
(CHEMBL4170635)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C19H18N4O3/c24-19(25)17-18(22-16-7-2-1-6-15(16)21-17)20-13-4-3-5-14(12-13)23-8-10-26-11-9-23/h1-7,12H,8-11H2,(H,20,22)(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406882
PNG
(CHEMBL4166554)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccccc1O
Show InChI InChI=1S/C15H11N3O3/c19-12-8-4-3-7-11(12)18-14-13(15(20)21)16-9-5-1-2-6-10(9)17-14/h1-8,19H,(H,17,18)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406891
PNG
(CHEMBL4163110)
Show SMILES OC(=O)c1nc2ccccc2nc1Nc1ccc(O)cc1
Show InChI InChI=1S/C15H11N3O3/c19-10-7-5-9(6-8-10)16-14-13(15(20)21)17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50406879
PNG
(CHEMBL4174068)
Show SMILES [K;v0+].[#7]-c1cccc(-[#7]-c2nc3ccccc3nc2-[#6](-[#8-])=O)c1
Show InChI InChI=1S/C15H12N4O2/c16-9-4-3-5-10(8-9)17-14-13(15(20)21)18-11-6-1-2-7-12(11)19-14/h1-8H,16H2,(H,17,19)(H,20,21)/p-1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Tours

Curated by ChEMBL


Assay Description
Inhibition of recombinant human haspin kinase domain (470 to 798 residues) expressed in bacterial expression system using histone H3 peptide as subst...


Eur J Med Chem 154: 101-109 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.056
BindingDB Entry DOI: 10.7270/Q2HM5C0X
More data for this
Ligand-Target Pair