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4 similar compounds to monomer 50236117

Compile data set for download or QSAR
Wt: 358.2
BDBM50236116
Wt: 344.4
BDBM50236118
Wt: 295.3
BDBM50238914
Wt: 365.4
BDBM50238919

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50236116,50236118,50238914,50238919   
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
dCTP pyrophosphatase 1


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
ADP-ribose pyrophosphatase, mitochondrial


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
Uridine diphosphate glucose pyrophosphatase


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
ADP-sugar pyrophosphatase


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged NUDT5 expressed in bacterial expression system in presence of ADP after 1 hr by malachite green reagent based assay


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
dCTP pyrophosphatase 1


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human dCTPase 1


Bioorg Med Chem Lett 27: 3897-3904 (2017)


BindingDB Entry DOI: 10.7270/Q23N25WK
More data for this
Ligand-Target Pair
dCTP pyrophosphatase 1


(Homo sapiens (Human))
BDBM50236116
PNG
(CHEMBL4101775)
Show SMILES Brc1cccc(c1)-c1nn2c(nnc2s1)-c1ccccn1
Show InChI InChI=1S/C14H8BrN5S/c15-10-5-3-4-9(8-10)13-19-20-12(17-18-14(20)21-13)11-6-1-2-7-16-11/h1-8H
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n/an/a 602n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged dCTPase 1 expressed in Escherichia coli BL21(DE3)pLysS using dCTP as substrate after 1 hr by ma...


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
Nucleotide triphosphate diphosphatase NUDT15


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human His-tagged NUDT15 expressed in bacterial expression system after 1 hr by malachite green reagent based assay


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
Inosine triphosphate pyrophosphatase


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM50238914
PNG
(CHEMBL4073798)
Show SMILES Fc1ccc(cc1)-c1ccccc1NCCCn1ccnc1
Show InChI InChI=1S/C18H18FN3/c19-16-8-6-15(7-9-16)17-4-1-2-5-18(17)21-10-3-12-22-13-11-20-14-22/h1-2,4-9,11,13-14,21H,3,10,12H2
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n/an/a 3.02E+3n/an/an/an/an/an/a



Shenzhen University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged QC expressed in Escherichia coli BL21(DE3) using H-gln-gln-H as substrate in presence of NADH/H+ after 15 ...


J Med Chem 60: 6664-6677 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00648
BindingDB Entry DOI: 10.7270/Q2QC05S9
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM50238919
PNG
(CHEMBL4064459)
Show SMILES COc1ccc(cc1OC)-c1c(C)cccc1NCCCn1cnc(C)c1
Show InChI InChI=1S/C22H27N3O2/c1-16-7-5-8-19(23-11-6-12-25-14-17(2)24-15-25)22(16)18-9-10-20(26-3)21(13-18)27-4/h5,7-10,13-15,23H,6,11-12H2,1-4H3
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n/an/a 700n/an/an/an/an/an/a



Shenzhen University

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged QC expressed in Escherichia coli BL21(DE3) using H-gln-gln-H as substrate in presence of NADH/H+ after 15 ...


J Med Chem 60: 6664-6677 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00648
BindingDB Entry DOI: 10.7270/Q2QC05S9
More data for this
Ligand-Target Pair
MutT homolog 1 protein (MTH1)


(Homo sapiens (Human))
BDBM50236118
PNG
(CHEMBL4065181)
Show SMILES COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1cccs1
Show InChI InChI=1S/C15H12N4O2S2/c1-20-10-6-5-9(8-11(10)21-2)14-18-19-13(12-4-3-7-22-12)16-17-15(19)23-14/h3-8H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MTH1 using dGTP as substrate after 1 hr by malachite green reagent based assay


J Med Chem 60: 2148-2154 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01786
BindingDB Entry DOI: 10.7270/Q2BR8VGZ
More data for this
Ligand-Target Pair