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6 similar compounds to monomer 50355116

Compile data set for download or QSAR
Wt: 370.4
BDBM50380331
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Wt: 354.4
BDBM50380332
Wt: 354.4
BDBM50380333
Wt: 368.4
BDBM50380334
Wt: 370.4
BDBM50380336
Wt: 370.4
BDBM50380337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50380331,50380332,50380333,50380334,50380336,50380337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380331
PNG
(CHEMBL1835517)
Show SMILES Oc1ccc(cc1O)C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C18H14N2O3S2/c19-9-13-16(23)20-17(12-6-7-14(21)15(22)8-12)25-18(13)24-10-11-4-2-1-3-5-11/h1-8,17,21-22H,10H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380332
PNG
(CHEMBL2017793)
Show SMILES Oc1cccc(c1)C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C18H14N2O2S2/c19-10-15-16(22)20-17(13-7-4-8-14(21)9-13)24-18(15)23-11-12-5-2-1-3-6-12/h1-9,17,21H,11H2,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380337
PNG
(CHEMBL2017798)
Show SMILES Oc1ccc(O)c(c1)C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C18H14N2O3S2/c19-9-14-16(23)20-17(13-8-12(21)6-7-15(13)22)25-18(14)24-10-11-4-2-1-3-5-11/h1-8,17,21-22H,10H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380334
PNG
(CHEMBL2017795)
Show SMILES COc1ccc(cc1)C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C19H16N2O2S2/c1-23-15-9-7-14(8-10-15)18-21-17(22)16(11-20)19(25-18)24-12-13-5-3-2-4-6-13/h2-10,18H,12H2,1H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380336
PNG
(CHEMBL2017797)
Show SMILES Oc1ccc(C2NC(=O)C(C#N)=C(SCc3ccccc3)S2)c(O)c1
Show InChI InChI=1S/C18H14N2O3S2/c19-9-14-16(23)20-17(13-7-6-12(21)8-15(13)22)25-18(14)24-10-11-4-2-1-3-5-11/h1-8,17,21-22H,10H2,(H,20,23)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair
Galactokinase (GALK)


(Homo sapiens (Human))
BDBM50380333
PNG
(CHEMBL2017794)
Show SMILES Oc1ccc(cc1)C1NC(=O)C(C#N)=C(SCc2ccccc2)S1
Show InChI InChI=1S/C18H14N2O2S2/c19-10-15-16(22)20-17(13-6-8-14(21)9-7-13)24-18(15)23-11-12-4-2-1-3-5-12/h1-9,17,21H,11H2,(H,20,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human galactokinase after 30 mins by Kinase-GloTM assay


ACS Med Chem Lett 2: 667-672 (2011)


Article DOI: 10.1021/ml200131j
BindingDB Entry DOI: 10.7270/Q251406Q
More data for this
Ligand-Target Pair