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PubChem AID 504728

Compile Data Set for Download or QSAR

Found 283 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
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM49662
PNG
(MLS000335562 | N-(1H-benzimidazol-2-yl)-3-methyl-1...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
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n/an/a 552n/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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80021
PNG
((4Z)-2-(3,4-dimethoxyphenyl)-4-[[(4,6-dimethyl-2-p...)
Show SMILES COc1ccc(cc1OC)-n1c(O)c(CN=Nc2nc(C)cc(C)n2)c2ccccc2c1=O
Show InChI InChI=1S/C24H23N5O4/c1-14-11-15(2)27-24(26-14)28-25-13-19-17-7-5-6-8-18(17)22(30)29(23(19)31)16-9-10-20(32-3)21(12-16)33-4/h5-12,31H,13H2,1-4H3
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n/an/a 594n/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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80001
PNG
(MLS000724611 | N-(4,7-dimethyl-1,3-benzothiazol-2-...)
Show SMILES Cc1ccc(C)c2sc(NC(=O)c3nc4ccccc4s3)nc12
Show InChI InChI=1S/C17H13N3OS2/c1-9-7-8-10(2)14-13(9)19-17(23-14)20-15(21)16-18-11-5-3-4-6-12(11)22-16/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 869n/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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM65447
PNG
((6E)-2-methoxy-6-[[2-[4-(4-nitroanilino)-6-pyrroli...)
Show SMILES COc1ccc[c-](C[NH+]=Nc2nc(Nc3ccc(cc3)[N+]([O-])=O)nc(n2)N2CCCC2)c1=O
Show InChI InChI=1S/C21H21N8O4/c1-33-17-6-4-5-14(18(17)30)13-22-27-20-24-19(25-21(26-20)28-11-2-3-12-28)23-15-7-9-16(10-8-15)29(31)32/h4-10H,2-3,11-13H2,1H3,(H,23,24,25,26)/q-1/p+1
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n/an/a 1.64E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM48729
PNG
(4-Methyl-N-[4-oxo-3-(2H-[1,2,4]triazol-3-ylsulfany...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C19H14N4O3S2/c1-12-6-8-13(9-7-12)28(25,26)23-16-10-17(27-19-20-11-21-22-19)18(24)15-5-3-2-4-14(15)16/h2-11H,1H3,(H,20,21,22)
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n/an/a 3.12E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM34855
PNG
(MLS000699314 | N,N'-bis(5-keto-6-methyl-3-thioxo-2...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C11H12N8O4S2/c1-4-8(22)18(10(24)14-12-4)16-6(20)3-7(21)17-19-9(23)5(2)13-15-11(19)25/h3H2,1-2H3,(H,14,24)(H,15,25)(H,16,20)(H,17,21)
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n/an/a 1.11E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80086
PNG
((4aR,6aR,6aS,6bR,8aS,12aS,14bS)-8a-(imidazole-1-ca...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(=O)n1ccnc1
Show InChI InChI=1S/C34H43N3O3/c1-29(2)10-12-34(28(40)37-15-14-36-20-37)13-11-33(7)26(22(34)18-29)23(38)16-25-31(5)17-21(19-35)27(39)30(3,4)24(31)8-9-32(25,33)6/h14-17,20,22,24,26H,8-13,18H2,1-7H3/t22-,24-,26-,31-,32+,33+,34-/m0/s1
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n/an/a 1.15E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM58116
PNG
(Heptanoic acid N'-[1-sec-butyl-4,6-dioxo-2-thi...)
Show SMILES CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(C(C)CC)C1=O
Show InChI InChI=1S/C16H26N4O3S/c1-4-6-7-8-9-13(21)19-17-10-12-14(22)18-16(24)20(15(12)23)11(3)5-2/h10-11,17H,4-9H2,1-3H3,(H,19,21)(H,18,22,24)
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n/an/a 1.17E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80065
PNG
(1-(3,5-dimethylphenyl)-3-pyrroline-2,5-quinone | 1...)
Show SMILES Cc1cc(C)cc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
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n/an/a 1.31E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79992
PNG
((5-chloranylquinolin-8-yl) 4-methyl-3-nitro-benzoa...)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1ccc(Cl)c2cccnc12
Show InChI InChI=1S/C17H11ClN2O4/c1-10-4-5-11(9-14(10)20(22)23)17(21)24-15-7-6-13(18)12-3-2-8-19-16(12)15/h2-9H,1H3
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n/an/a 1.39E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM70948
PNG
(1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-2-...)
Show SMILES COC(=O)C1=NN(C(=O)c2cccc(Br)c2)C(O)(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
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n/an/a 1.41E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM66015
PNG
(5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyri...)
Show SMILES [O-][N+](=O)c1ccc(nc1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H7F3N2O4S/c13-12(14,15)8-2-1-3-10(6-8)22(20,21)11-5-4-9(7-16-11)17(18)19/h1-7H
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n/an/a 1.46E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM37726
PNG
(1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-me...)
Show SMILES COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-7-12(8(2)18)21-13(15-7)17-14-16-10-5-4-9(19-3)6-11(10)20-14/h4-6H,1-3H3,(H,15,16,17)
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n/an/a 1.48E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM72680
PNG
(5-[5-(4-Chloro-phenyl)-pyrazolidin-3-ylidene]-1,3-...)
Show SMILES CN1C(=O)C(C2CC(N=N2)c2ccc(Cl)cc2)C(=O)N(C)C1=O
Show InChI InChI=1S/C15H15ClN4O3/c1-19-13(21)12(14(22)20(2)15(19)23)11-7-10(17-18-11)8-3-5-9(16)6-4-8/h3-6,10-12H,7H2,1-2H3
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n/an/a 1.49E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54743
PNG
(1-(4-piperidin-1-ylphenyl)pyrrole-2,5-dione | 1-(4...)
Show SMILES O=C1C=CC(=O)N1c1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C15H16N2O2/c18-14-8-9-15(19)17(14)13-6-4-12(5-7-13)16-10-2-1-3-11-16/h4-9H,1-3,10-11H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM58449
PNG
(1-[1-(2,4-dichlorophenyl)ethylideneamino]-3-(2-phe...)
Show SMILES CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3S/c1-12(15-8-7-14(18)11-16(15)19)21-22-17(23)20-10-9-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H2,20,22,23)
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n/an/a 1.51E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM42233
PNG
(4-ethyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H16N4O3S2/c1-2-13-7-9-14(10-8-13)29(26,27)24-17-11-18(28-20-21-12-22-23-20)19(25)16-6-4-3-5-15(16)17/h3-12H,2H2,1H3,(H,21,22,23)
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n/an/a 1.53E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79971
PNG
(2-(1-Butyryl-2,2-dimethyl-3-thioxo-2,3-dihydro-1H-...)
Show SMILES CCCC(=O)N1c2ccccc2C(=C2SC(C(=O)OC)=C(S2)C(=O)OC)C(=S)C1(C)C
Show InChI InChI=1S/C22H23NO5S3/c1-6-9-14(24)23-13-11-8-7-10-12(13)15(18(29)22(23,2)3)21-30-16(19(25)27-4)17(31-21)20(26)28-5/h7-8,10-11H,6,9H2,1-5H3
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n/an/a 1.55E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80091
PNG
(MLS002701692 | SMR001565290 | [4-[(Z)-[3-[(dimethy...)
Show SMILES CCC(=O)OCOc1ccc(C=C2CCC(CN(C)C)C2=O)cc1
Show InChI InChI=1S/C19H25NO4/c1-4-18(21)24-13-23-17-9-5-14(6-10-17)11-15-7-8-16(19(15)22)12-20(2)3/h5-6,9-11,16H,4,7-8,12-13H2,1-3H3
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n/an/a 1.55E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54813
PNG
(5-(2,5-dioxo-1-pyrrolyl)-N-(4-methylphenyl)-2-(4-m...)
Show SMILES Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1
Show InChI InChI=1S/C22H21N3O4/c1-15-2-4-16(5-3-15)23-22(28)18-14-17(25-20(26)8-9-21(25)27)6-7-19(18)24-10-12-29-13-11-24/h2-9,14H,10-13H2,1H3,(H,23,28)
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n/an/a 1.56E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM64560
PNG
((5,7-dichloroquinolin-8-yl) furan-2-carboxylate | ...)
Show SMILES Clc1cc(Cl)c2cccnc2c1OC(=O)c1ccco1
Show InChI InChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
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n/an/a 1.58E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM47443
PNG
(1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]am...)
Show SMILES FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1
Show InChI InChI=1S/C12H9ClF3N3O2/c13-8-5-7(12(14,15)16)6-18-11(8)17-3-4-19-9(20)1-2-10(19)21/h1-2,5-6H,3-4H2,(H,17,18)
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n/an/a 1.59E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80025
PNG
(2-(2,5-dihydroxy-4-methyl-phenyl)-5-methyl-hydroqu...)
Show SMILES Cc1cc(O)c(cc1O)-c1cc(O)c(C)cc1O
Show InChI InChI=1S/C14H14O4/c1-7-3-13(17)9(5-11(7)15)10-6-12(16)8(2)4-14(10)18/h3-6,15-18H,1-2H3
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n/an/a 1.61E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80094
PNG
(AESCINE | MLS002695979 | SMR000127404 | cid_162110...)
Show SMILES C\C=C(/C)C(=O)OC1[C@H](OC(C)=O)C2(CO)[C@H](O)C[C@]3(C)C(=CCC4C5(C)CCC(O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CCC34C)C2CC1(C)C
Show InChI InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10+/t26?,27-,28-,29?,30?,31-,32?,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43?,44+,47+,48-,49-,51?,52-,53?,54-,55?/m1/s1
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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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80020
PNG
(MLS000771770 | N-[4-(2,5-dimethylphenyl)-1,3-thiaz...)
Show SMILES Cc1ccc(C)c(c1)-c1csc(NC(=O)c2cnccn2)n1
Show InChI InChI=1S/C16H14N4OS/c1-10-3-4-11(2)12(7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 1.65E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79995
PNG
(6-[(3-Methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-...)
Show SMILES CC1=NN(C(=O)\C1=C\NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34)c1ccccc1
Show InChI InChI=1S/C25H18N4O3/c1-14-20(25(32)28(27-14)17-5-3-2-4-6-17)13-26-29-23(30)18-11-9-15-7-8-16-10-12-19(24(29)31)22(18)21(15)16/h2-6,9-13,26H,7-8H2,1H3/b20-13+
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n/an/a 1.65E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM78218
PNG
((E)-4-(3-nitroanilino)-4-oxo-2-butenoic acid ethyl...)
Show SMILES CCOC(=O)\C=C\C(=O)Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C12H12N2O5/c1-2-19-12(16)7-6-11(15)13-9-4-3-5-10(8-9)14(17)18/h3-8H,2H2,1H3,(H,13,15)/b7-6+
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n/an/a 1.66E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM51326
PNG
(1-(3,5-dimethylphenyl)-3-(1-phenyltetrazol-5-yl)su...)
Show SMILES Cc1cc(C)cc(c1)-n1c(O)cc(Sc2nnnn2-c2ccccc2)c1O
Show InChI InChI=1S/C19H17N5O2S/c1-12-8-13(2)10-15(9-12)23-17(25)11-16(18(23)26)27-19-20-21-22-24(19)14-6-4-3-5-7-14/h3-11,25-26H,1-2H3
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n/an/a 1.67E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM42248
PNG
(9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-...)
Show SMILES O=C1CN(CCc2ccccc2)C(=O)C2=C(CCCN12)C1=CC(=O)C=CC1=O
Show InChI InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
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n/an/a 1.67E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM47823
PNG
(MLS000757112 | N-(2,5-dichloro-3,6-diketo-4-propio...)
Show SMILES CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O
Show InChI InChI=1S/C12H12Cl2N2O4/c1-3-5(17)15-9-7(13)12(20)10(8(14)11(9)19)16-6(18)4-2/h3-4H2,1-2H3,(H,15,17)(H,16,18)
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n/an/a 1.67E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM60225
PNG
(4-fluoranyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol...)
Show SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(F)cc2)o1
Show InChI InChI=1S/C16H12FN3O3/c1-22-13-8-4-11(5-9-13)15-19-20-16(23-15)18-14(21)10-2-6-12(17)7-3-10/h2-9H,1H3,(H,18,20,21)
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n/an/a 1.69E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79975
PNG
(MLS000532669 | N-phenyl-2-pyridinecarbothioamide |...)
Show SMILES S=C(Nc1ccccc1)c1ccccn1
Show InChI InChI=1S/C12H10N2S/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
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n/an/a 1.69E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM68106
PNG
((phenylmethyl) 2-(4-methylsulfonyl-2-nitro-phenyl)...)
Show SMILES CS(=O)(=O)c1ccc(c(c1)[N+]([O-])=O)S(=O)CC(=O)OCc1ccccc1
Show InChI InChI=1S/C16H15NO7S2/c1-26(22,23)13-7-8-15(14(9-13)17(19)20)25(21)11-16(18)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3
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n/an/a 1.71E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM43966
PNG
(1-(1H-benzimidazol-2-yl)-3-methyl-4-phenyl-1H-pyra...)
Show SMILES Cc1nn(c(N)c1-c1ccccc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C17H15N5/c1-11-15(12-7-3-2-4-8-12)16(18)22(21-11)17-19-13-9-5-6-10-14(13)20-17/h2-10H,18H2,1H3,(H,19,20)
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n/an/a 1.71E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80072
PNG
((6E)-6-[1-(2-quinolin-2-ylhydrazinyl)ethylidene]cy...)
Show SMILES CC(N=Nc1ccc2ccccc2n1)c1ccccc1O
Show InChI InChI=1S/C17H15N3O/c1-12(14-7-3-5-9-16(14)21)19-20-17-11-10-13-6-2-4-8-15(13)18-17/h2-12,21H,1H3
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n/an/a 1.72E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80042
PNG
(2-(4-chloranylphenoxy)-N-(quinolin-8-ylmethylidene...)
Show SMILES Clc1ccc(OCC(=O)NN=Cc2cccc3cccnc23)cc1
Show InChI InChI=1S/C18H14ClN3O2/c19-15-6-8-16(9-7-15)24-12-17(23)22-21-11-14-4-1-3-13-5-2-10-20-18(13)14/h1-11H,12H2,(H,22,23)
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n/an/a 1.72E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM47056
PNG
(1-(2-methylphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-...)
Show SMILES Cc1ccccc1-n1c(O)cc(Sc2nnc(o2)-c2ccccc2)c1O
Show InChI InChI=1S/C19H15N3O3S/c1-12-7-5-6-10-14(12)22-16(23)11-15(18(22)24)26-19-21-20-17(25-19)13-8-3-2-4-9-13/h2-11,23-24H,1H3
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n/an/a 1.75E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80085
PNG
(10-(diiodomethylene)phenanthren-9-one | 10-(diiodo...)
Show SMILES IC(I)=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C15H8I2O/c16-15(17)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)18/h1-8H
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n/an/a 1.77E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79981
PNG
(MLS000538111 | N,N-diallyl-N'-([1,1'-biphe...)
Show SMILES C=CCN(CC=C)C(=S)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2OS/c1-3-14-22(15-4-2)20(24)21-19(23)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h3-13H,1-2,14-15H2,(H,21,23,24)
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n/an/a 1.77E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79980
PNG
(2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1H...)
Show SMILES CS(=O)(=O)c1cc(c(Sc2nc3ccccc3[nH]2)c(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O6S2/c1-26(23,24)8-6-11(17(19)20)13(12(7-8)18(21)22)25-14-15-9-4-2-3-5-10(9)16-14/h2-7H,1H3,(H,15,16)
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n/an/a 1.78E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM63274
PNG
(MLS000678904 | N-(3-maleimidophenyl)-2-phenyl-acet...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C18H14N2O3/c21-16(11-13-5-2-1-3-6-13)19-14-7-4-8-15(12-14)20-17(22)9-10-18(20)23/h1-10,12H,11H2,(H,19,21)
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n/an/a 1.79E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79996
PNG
(1-(4-Difluoromethoxy-phenyl)-pyrrole-2,5-dione | 1...)
Show SMILES FC(F)Oc1ccc(cc1)N1C(=O)C=CC1=O
Show InChI InChI=1S/C11H7F2NO3/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H
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n/an/a 1.82E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM71432
PNG
((NE)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(O)cc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H18N2O5S/c1-30-17-10-12-18(13-11-17)31(28,29)25-21-14-22(24-15-6-8-16(26)9-7-15)23(27)20-5-3-2-4-19(20)21/h2-14,24,26H,1H3
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n/an/a 1.83E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM79987
PNG
(5-(4-chlorophenyl)-N-[(2-hydroxy-5-methyl-phenyl)t...)
Show SMILES Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C19H15ClN2O3S/c1-11-2-7-15(23)14(10-11)21-19(26)22-18(24)17-9-8-16(25-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3,(H2,21,22,24,26)
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n/an/a 1.84E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80000
PNG
(MLS000591306 | N'-[(1,3-diethyl-4,6-diketo-2-thiox...)
Show SMILES CCCCC(=O)NNC=C1C(=O)N(CC)C(=S)N(CC)C1=O
Show InChI InChI=1S/C14H22N4O3S/c1-4-7-8-11(19)16-15-9-10-12(20)17(5-2)14(22)18(6-3)13(10)21/h9,15H,4-8H2,1-3H3,(H,16,19)
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n/an/a 1.87E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM48878
PNG
(4-((3E)-3-{[5-(4-nitrophenyl)-2-furyl]methylene}-2...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1
Show InChI InChI=1S/C28H18N2O6/c31-27-21(16-24-14-15-26(36-24)19-6-12-23(13-7-19)30(34)35)17-25(18-4-2-1-3-5-18)29(27)22-10-8-20(9-11-22)28(32)33/h1-17H,(H,32,33)/b21-16+
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n/an/a 1.88E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM67953
PNG
(1-(3-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfan...)
Show SMILES Oc1cc(Sc2nnnn2-c2ccccc2)c(O)n1-c1cccc(Cl)c1
Show InChI InChI=1S/C17H12ClN5O2S/c18-11-5-4-8-13(9-11)22-15(24)10-14(16(22)25)26-17-19-20-21-23(17)12-6-2-1-3-7-12/h1-10,24-25H
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n/an/a 1.90E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80076
PNG
(2,3-dimethoxy-5-(2-naphthalenylthio)cyclohexa-2,5-...)
Show SMILES COC1=C(OC)C(=O)C(Sc2ccc3ccccc3c2)=CC1=O
Show InChI InChI=1S/C18H14O4S/c1-21-17-14(19)10-15(16(20)18(17)22-2)23-13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3
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n/an/a 1.90E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80039
PNG
(2-[2-(dimethylamino)ethylsulfanyl]-5-(4-fluorophen...)
Show SMILES CN(C)CCSc1nc2sc(C)c(-c3ccc(F)cc3)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C23H22FN3OS2/c1-15-19(16-9-11-17(24)12-10-16)20-21(30-15)25-23(29-14-13-26(2)3)27(22(20)28)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3
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n/an/a 1.91E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM47581
PNG
((3Z)-3-(1-methyl-5-oxidanylidene-2-sulfanylidene-i...)
Show SMILES CN1C(=S)N\C(C1=O)=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C12H9N3O2S/c1-15-11(17)9(14-12(15)18)8-6-4-2-3-5-7(6)13-10(8)16/h2-5H,1H3,(H,13,16)(H,14,18)/b9-8-
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n/an/a 1.91E+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, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%