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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 4431   
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
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70215
PNG
(2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-N,N-d...)
Show SMILES CN(C)C(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C17H13FN4OS2/c1-22(2)15(23)9-3-5-11-13(7-9)24-16(19-11)21-17-20-12-6-4-10(18)8-14(12)25-17/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 13.1n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70214
PNG
(N-ethyl-2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amin...)
Show SMILES CCNC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C17H13FN4OS2/c1-2-19-15(23)9-3-5-11-13(7-9)24-16(20-11)22-17-21-12-6-4-10(18)8-14(12)25-17/h3-8H,2H2,1H3,(H,19,23)(H,20,21,22)
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n/an/a 56.2n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70219
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccncc2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-6-4-14(5-7-15)19-23-18(26-24-19)9-8-17(25)22-16-10-12-21-13-11-16/h4-7,10-13H,8-9H2,1-3H3,(H,21,22,25)
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n/an/a 107n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70221
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C21H23N3O2/c1-21(2,3)16-11-9-15(10-12-16)20-23-19(26-24-20)14-13-18(25)22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
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n/an/a 116n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70191
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccccn2)n1
Show InChI InChI=1S/C20H22N4O2/c1-20(2,3)15-9-7-14(8-10-15)19-23-18(26-24-19)12-11-17(25)22-16-6-4-5-13-21-16/h4-10,13H,11-12H2,1-3H3,(H,21,22,25)
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n/an/a 159n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70211
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES Cc1cccc(NC(=O)CCc2nc(no2)-c2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-6-5-7-18(14-15)23-19(26)12-13-20-24-21(25-27-20)16-8-10-17(11-9-16)22(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,23,26)
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n/an/a 229n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70218
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)Nc2ccc(nc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H29N5O3/c1-24(2,3)18-6-4-17(5-7-18)23-27-22(32-28-23)11-10-21(30)26-19-8-9-20(25-16-19)29-12-14-31-15-13-29/h4-9,16H,10-15H2,1-3H3,(H,26,30)
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n/an/a 267n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70212
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CCOc1ccc(NC(=O)CCc2nc(no2)-c2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C23H27N3O3/c1-5-28-19-12-10-18(11-13-19)24-20(27)14-15-21-25-22(26-29-21)16-6-8-17(9-7-16)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,27)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70213
PNG
(4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCCC(=O)Nc2ccccc2Cl)n1
Show InChI InChI=1S/C22H24ClN3O2/c1-22(2,3)16-13-11-15(12-14-16)21-25-20(28-26-21)10-6-9-19(27)24-18-8-5-4-7-17(18)23/h4-5,7-8,11-14H,6,9-10H2,1-3H3,(H,24,27)
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n/an/a 806n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70196
PNG
(2,2-dimethyl-N-(2-phenyl-5-benzotriazolyl)propanam...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C17H18N4O/c1-17(2,3)16(22)18-12-9-10-14-15(11-12)20-21(19-14)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,18,22)
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n/an/a 3.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70220
PNG
(3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(=O)NCc2ccccc2)n1
Show InChI InChI=1S/C22H25N3O2/c1-22(2,3)18-11-9-17(10-12-18)21-24-20(27-25-21)14-13-19(26)23-15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H,23,26)
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n/an/a 3.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70201
PNG
(N-[2-(4-fluorophenyl)-5-benzotriazolyl]-2,2-dimeth...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN4O/c1-17(2,3)16(23)19-12-6-9-14-15(10-12)21-22(20-14)13-7-4-11(18)5-8-13/h4-10H,1-3H3,(H,19,23)
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n/an/a 4.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70225
PNG
(N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-2-pheny...)
Show SMILES Clc1cc2nn(nc2cc1NC(=O)Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H15ClN4O/c21-16-12-18-19(24-25(23-18)15-9-5-2-6-10-15)13-17(16)22-20(26)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H,22,26)
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n/an/a 7.97E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70192
PNG
(3-[4-(4-tert-butylphenyl)-1,3-oxazol-2-yl]-N-pyrid...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1coc(CCC(=O)Nc2ccccn2)n1
Show InChI InChI=1S/C21H23N3O2/c1-21(2,3)16-9-7-15(8-10-16)17-14-26-20(23-17)12-11-19(25)24-18-6-4-5-13-22-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,24,25)
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n/an/a 1.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70203
PNG
(N-[2-(4-chlorophenyl)-5-benzotriazolyl]-2-methylpr...)
Show SMILES CC(C)C(=O)Nc1ccc2nn(nc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H15ClN4O/c1-10(2)16(22)18-12-5-8-14-15(9-12)20-21(19-14)13-6-3-11(17)4-7-13/h3-10H,1-2H3,(H,18,22)
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n/an/a 2.63E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70216
PNG
(N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl...)
Show SMILES CN(C)C(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
Show InChI InChI=1S/C15H14N4O2S2/c1-8-12(14(21)19(2)3)23-15(17-8)18-13(20)9-4-5-10-11(6-9)22-7-16-10/h4-7H,1-3H3,(H,17,18,20)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70217
PNG
(N-[5-(ethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-1...)
Show SMILES CCNC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
Show InChI InChI=1S/C15H14N4O2S2/c1-3-16-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)22-7-17-10/h4-7H,3H2,1-2H3,(H,16,21)(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM34853
PNG
((6-chloro-2-phenyl-benzotriazol-5-yl)amine | 6-chl...)
Show SMILES Nc1cc2nn(nc2cc1Cl)-c1ccccc1
Show InChI InChI=1S/C12H9ClN4/c13-9-6-11-12(7-10(9)14)16-17(15-11)8-4-2-1-3-5-8/h1-7H,14H2
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70222
PNG
(5-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-tert-butylp...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCc2nc3ccccc3[nH]2)n1
Show InChI InChI=1S/C21H22N4O/c1-21(2,3)15-10-8-14(9-11-15)20-24-19(26-25-20)13-12-18-22-16-6-4-5-7-17(16)23-18/h4-11H,12-13H2,1-3H3,(H,22,23)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70224
PNG
(N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-3,4-dih...)
Show SMILES Clc1cc2nn(nc2cc1NC(=O)C1COc2ccccc2C1)-c1ccccc1
Show InChI InChI=1S/C22H17ClN4O2/c23-17-11-19-20(26-27(25-19)16-7-2-1-3-8-16)12-18(17)24-22(28)15-10-14-6-4-5-9-21(14)29-13-15/h1-9,11-12,15H,10,13H2,(H,24,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70210
PNG
(N-[1-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]...)
Show SMILES CC(NC(=O)c1ccccc1)c1nc(no1)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H23N3O2/c1-14(22-19(25)16-8-6-5-7-9-16)20-23-18(24-26-20)15-10-12-17(13-11-15)21(2,3)4/h5-14H,1-4H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70209
PNG
(N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-1,3-benzoth...)
Show SMILES CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1-c1ccccc1
Show InChI InChI=1S/C19H13N3O2S2/c1-11(23)17-16(12-5-3-2-4-6-12)21-19(26-17)22-18(24)13-7-8-14-15(9-13)25-10-20-14/h2-10H,1H3,(H,21,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70208
PNG
(N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzoth...)
Show SMILES CC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
Show InChI InChI=1S/C14H11N3O2S2/c1-7-12(8(2)18)21-14(16-7)17-13(19)9-3-4-10-11(5-9)20-6-15-10/h3-6H,1-2H3,(H,16,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70207
PNG
((6-fluoro-1,3-benzothiazol-2-yl)-(6-methoxy-1,3-be...)
Show SMILES COc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C15H10FN3OS2/c1-20-9-3-5-11-13(7-9)22-15(18-11)19-14-17-10-4-2-8(16)6-12(10)21-14/h2-7H,1H3,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70206
PNG
((6-fluoro-1,3-benzothiazol-2-yl)-(6-isopropyl-1,3-...)
Show SMILES CC(C)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C17H14FN3S2/c1-9(2)10-3-5-12-14(7-10)22-16(19-12)21-17-20-13-6-4-11(18)8-15(13)23-17/h3-9H,1-2H3,(H,19,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70205
PNG
((6-ethoxy-1,3-benzothiazol-2-yl)-(6-fluoro-1,3-ben...)
Show SMILES CCOc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C16H12FN3OS2/c1-2-21-10-4-6-12-14(8-10)23-16(19-12)20-15-18-11-5-3-9(17)7-13(11)22-15/h3-8H,2H2,1H3,(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70204
PNG
(N-[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl...)
Show SMILES Cc1ccc(cc1)-n1nc2cc(Cl)c(NC(=O)c3cccnc3)cc2n1
Show InChI InChI=1S/C19H14ClN5O/c1-12-4-6-14(7-5-12)25-23-17-9-15(20)16(10-18(17)24-25)22-19(26)13-3-2-8-21-11-13/h2-11H,1H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70202
PNG
(1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1nc2ccc(NC(=O)C3CCN(CC3)S(=O)(=O)c3ccc(Cl)cc3)cc2n1
Show InChI InChI=1S/C25H24ClN5O4S/c1-35-21-7-5-20(6-8-21)31-28-23-11-4-19(16-24(23)29-31)27-25(32)17-12-14-30(15-13-17)36(33,34)22-9-2-18(26)3-10-22/h2-11,16-17H,12-15H2,1H3,(H,27,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70200
PNG
(N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-2,2-dimet...)
Show SMILES COc1ccc(cc1)-n1nc2ccc(NC(=O)C(C)(C)C)cc2n1
Show InChI InChI=1S/C18H20N4O2/c1-18(2,3)17(23)19-12-5-10-15-16(11-12)21-22(20-15)13-6-8-14(24-4)9-7-13/h5-11H,1-4H3,(H,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70199
PNG
(2-(3,4-dimethylphenoxy)-N-[2-[3-(trifluoromethyl)p...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc3nn(nc3c2)-c2cccc(c2)C(F)(F)F)cc1C
Show InChI InChI=1S/C23H19F3N4O2/c1-14-6-8-19(10-15(14)2)32-13-22(31)27-17-7-9-20-21(12-17)29-30(28-20)18-5-3-4-16(11-18)23(24,25)26/h3-12H,13H2,1-2H3,(H,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70198
PNG
(2-(3,4-dimethylphenoxy)-N-[2-(4-methylphenyl)-5-be...)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(NC(=O)COc3ccc(C)c(C)c3)cc2n1
Show InChI InChI=1S/C23H22N4O2/c1-15-4-8-19(9-5-15)27-25-21-11-7-18(13-22(21)26-27)24-23(28)14-29-20-10-6-16(2)17(3)12-20/h4-13H,14H2,1-3H3,(H,24,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM56897
PNG
(MLS000071820 | N-[2-(4-Methoxy-phenyl)-6-methyl-2H...)
Show SMILES COc1ccc(cc1)-n1nc2cc(C)c(NC(=O)C(C)C)cc2n1
Show InChI InChI=1S/C18H20N4O2/c1-11(2)18(23)19-15-10-17-16(9-12(15)3)20-22(21-17)13-5-7-14(24-4)8-6-13/h5-11H,1-4H3,(H,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70195
PNG
((6-fluoro-1,3-benzothiazol-2-yl)-(6-mesyl-1,3-benz...)
Show SMILES CS(=O)(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C15H10FN3O2S3/c1-24(20,21)9-3-5-11-13(7-9)23-15(18-11)19-14-17-10-4-2-8(16)6-12(10)22-14/h2-7H,1H3,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70194
PNG
(N-[2-[(6-fluoranyl-1,3-benzothiazol-2-yl)amino]-1,...)
Show SMILES CC(=O)Nc1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1
Show InChI InChI=1S/C16H11FN4OS2/c1-8(22)18-10-3-5-12-14(7-10)24-16(20-12)21-15-19-11-4-2-9(17)6-13(11)23-15/h2-7H,1H3,(H,18,22)(H,19,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70197
PNG
(N-[2-(3-chlorophenyl)-5-benzotriazolyl]-2-phenoxya...)
Show SMILES Clc1cccc(c1)-n1nc2ccc(NC(=O)COc3ccccc3)cc2n1
Show InChI InChI=1S/C20H15ClN4O2/c21-14-5-4-6-16(11-14)25-23-18-10-9-15(12-19(18)24-25)22-20(26)13-27-17-7-2-1-3-8-17/h1-12H,13H2,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70193
PNG
(N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-be...)
Show SMILES CC1(C)Cc2nc(NC(=O)c3ccc4ncsc4c3)sc2C(=O)C1
Show InChI InChI=1S/C17H15N3O2S2/c1-17(2)6-11-14(12(21)7-17)24-16(19-11)20-15(22)9-3-4-10-13(5-9)23-8-18-10/h3-5,8H,6-7H2,1-2H3,(H,19,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair
Krueppel-like factor 5


(Homo sapiens (Human))
BDBM70223
PNG
(N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)cyclopro...)
Show SMILES Clc1cc2nn(nc2cc1NC(=O)C1CC1)-c1ccccc1
Show InChI InChI=1S/C16H13ClN4O/c17-12-8-14-15(9-13(12)18-16(22)10-6-7-10)20-21(19-14)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,22)
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n/an/a 4.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2Q52N2C
More data for this
Ligand-Target Pair