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PubChem AID 1536

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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
MPI protein


(Homo sapiens)
BDBM46043
PNG
(2-(2,5-dimethylphenyl)-1,2-benzothiazol-3-one | ML...)
Show SMILES Cc1ccc(C)c(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H13NOS/c1-10-7-8-11(2)13(9-10)16-15(17)12-5-3-4-6-14(12)18-16/h3-9H,1-2H3
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n/an/a 5.51E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46044
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)benzoic acid methy...)
Show SMILES COC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H11NO3S/c1-19-15(18)10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)20-16/h2-9H,1H3
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n/an/a 1.40E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM34966
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C15H14N2O3S2/c1-16(2)22(19,20)12-7-5-6-11(10-12)17-15(18)13-8-3-4-9-14(13)21-17/h3-10H,1-2H3
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n/an/a 1.64E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46667
PNG
(2-phenyl-1,2-benzothiazol-3-one | 2-phenyl-1,2-ben...)
Show SMILES O=c1n(sc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOS/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 2.10E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46669
PNG
(2-cyclopentyl-6-hydroxy-1,2-benzothiazol-3-one | 2...)
Show SMILES Oc1ccc2c(c1)sn(C1CCCC1)c2=O
Show InChI InChI=1S/C12H13NO2S/c14-9-5-6-10-11(7-9)16-13(12(10)15)8-3-1-2-4-8/h5-8,14H,1-4H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46434
PNG
(1'-(phenylmethyl)-2'-spiro[1,2-dihydro-4,1,2-benzo...)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C11NNc2ccccc2O1
Show InChI InChI=1S/C21H17N3O2/c25-20-21(23-22-17-11-5-7-13-19(17)26-21)16-10-4-6-12-18(16)24(20)14-15-8-2-1-3-9-15/h1-13,22-23H,14H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46670
PNG
(2-(2,5-dimethylphenyl)-3H-isoindol-1-one | 2-(2,5-...)
Show SMILES Cc1ccc(C)c(c1)N1Cc2ccccc2C1=O
Show InChI InChI=1S/C16H15NO/c1-11-7-8-12(2)15(9-11)17-10-13-5-3-4-6-14(13)16(17)18/h3-9H,10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46435
PNG
(1'-ethyl-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES CCN1C(=O)C2(NNc3ccccc3O2)c2ccccc12
Show InChI InChI=1S/C16H15N3O2/c1-2-19-13-9-5-3-7-11(13)16(15(19)20)18-17-12-8-4-6-10-14(12)21-16/h3-10,17-18H,2H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46668
PNG
(2-cyclopentyl-6-methoxy-1,2-benzothiazol-3-one | M...)
Show SMILES COc1ccc2c(c1)sn(C1CCCC1)c2=O
Show InChI InChI=1S/C13H15NO2S/c1-16-10-6-7-11-12(8-10)17-14(13(11)15)9-4-2-3-5-9/h6-9H,2-5H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43817
PNG
((3Z)-1-allyl-3-[(2-hydroxyphenyl)hydrazono]oxindol...)
Show SMILES Oc1ccccc1NN=C1C(=O)N(CC=C)c2ccccc12
Show InChI InChI=1S/C17H15N3O2/c1-2-11-20-14-9-5-3-7-12(14)16(17(20)22)19-18-13-8-4-6-10-15(13)21/h2-10,18,21H,1,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43816
PNG
(5'-bromanylspiro[1,2-dihydro-4,1,2-benzoxadiazine-...)
Show SMILES Brc1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10BrN3O2/c15-8-5-6-10-9(7-8)14(13(19)16-10)18-17-11-3-1-2-4-12(11)20-14/h1-7,17-18H,(H,16,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43814
PNG
((3Z)-1-butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-...)
Show SMILES CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12
Show InChI InChI=1S/C18H19N3O2/c1-2-3-12-21-15-10-6-4-8-13(15)17(18(21)23)20-19-14-9-5-7-11-16(14)22/h4-11,19,22H,2-3,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM43814
PNG
((3Z)-1-butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-...)
Show SMILES CCCCN1C(=O)C(=NNc2ccccc2O)c2ccccc12
Show InChI InChI=1S/C18H19N3O2/c1-2-3-12-21-15-10-6-4-8-13(15)17(18(21)23)20-19-14-9-5-7-11-16(14)22/h4-11,19,22H,2-3,12H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens)
BDBM46433
PNG
(5'-nitro-2'-spiro[1,2-dihydro-4,1,2-benzoxadiazine...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)C3(NNc4ccccc4O3)c2c1
Show InChI InChI=1S/C14H10N4O4/c19-13-14(17-16-11-3-1-2-4-12(11)22-14)9-7-8(18(20)21)5-6-10(9)15-13/h1-7,16-17H,(H,15,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DJ5D2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%