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PubChem AID 2505

Compile data set for download or QSAR
Found 9 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
Interleukin-8


(Homo sapiens (Human))		BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 551n/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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM59542
PNG
((1-tosylbenzimidazol-2-yl)amine | 1-(4-methylpheny...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)n1c(N)nc2ccccc12
Show InChI InChI=1S/C14H13N3O2S/c1-10-6-8-11(9-7-10)20(18,19)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
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n/an/a 596n/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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM65733
PNG
(3-methyl-8-nitro-7-(phenylmethyl)purine-2,6-dione ...)
Show SMILES Cn1c2nc(n(Cc3ccccc3)c2c(=O)[nH]c1=O)[N+]([O-])=O
Show InChI InChI=1S/C13H11N5O4/c1-16-10-9(11(19)15-13(16)20)17(12(14-10)18(21)22)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,19,20)
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n/an/a 2.16E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM65731
PNG
(3-methyl-7-(phenylmethyl)-8-(propan-2-ylthio)purin...)
Show SMILES CC(C)Sc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C16H18N4O2S/c1-10(2)23-16-17-13-12(14(21)18-15(22)19(13)3)20(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,21,22)
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n/an/a 3.31E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM49106
PNG
(7-[(E)-but-2-enyl]-3-methyl-8-(3-phenylpropylsulfa...)
Show SMILES C\C=C\Cn1c(SCCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H22N4O2S/c1-3-4-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-8-11-14-9-6-5-7-10-14/h3-7,9-10H,8,11-13H2,1-2H3,(H,21,24,25)/b4-3+
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n/an/a 3.43E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM65729
PNG
(3-methyl-7-pentyl-8-(2-phenylethylsulfanyl)purine-...)
Show SMILES CCCCCn1c(SCCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-8-12-23-15-16(22(2)18(25)21-17(15)24)20-19(23)26-13-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
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n/an/a 4.10E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM62332
PNG
(1-[2-(4-chloranylphenoxy)ethyl]benzimidazol-2-amin...)
Show SMILES Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C15H14ClN3O/c16-11-5-7-12(8-6-11)20-10-9-19-14-4-2-1-3-13(14)18-15(19)17/h1-8H,9-10H2,(H2,17,18)
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n/an/a 8.60E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM62334
PNG
(1-[(4-chlorophenyl)methyl]-2-benzimidazolamine | 1...)
Show SMILES Nc1nc2ccccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H12ClN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
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n/an/a 1.21E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
Interleukin-8


(Homo sapiens (Human))		BDBM54447
PNG
((5E)-5-[[2-(trifluoromethyl)phenyl]hydrazinylidene...)
Show SMILES Oc1ccc(N=Nc2ccccc2C(F)(F)F)c2cccnc12 |w:6.6|
Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)11-5-1-2-6-13(11)22-21-12-7-8-14(23)15-10(12)4-3-9-20-15/h1-9,23H
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n/an/a 1.98E+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 (2010)


BindingDB Entry DOI: 10.7270/Q20Z71QR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%