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Compile Data Set for Download or QSAR

Found 322 hits of ic50 data for polymerid = 7518   
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
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM172369
PNG
(US9090596, 50)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C23H25N3O6/c1-12-8-9-15(32-12)21(23(2)10-31-11-23)25-17-16(19(28)20(17)29)24-14-7-5-6-13(18(14)27)22(30)26(3)4/h5-9,21,24-25,27H,10-11H2,1-4H3/t21-/s2
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US Patent
n/an/a 1.40n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291181
PNG
(6-chloro-2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfu...)
Show SMILES CN(C)S(=O)(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1C
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n/an/a 1.60n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM172372
PNG
(US9090596, 53)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C25H29ClN4O7S/c1-14-4-7-17(37-14)24(25(2)12-36-13-25)28-19-18(21(32)22(19)33)27-16-6-5-15(26)23(20(16)31)38(34,35)30-10-8-29(3)9-11-30/h4-7,24,27-28,31H,8-13H2,1-3H3/t24-/s2
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US Patent
n/an/a 1.90n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
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n/an/a 2n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291172
PNG
(2-hydroxy-N,N-dimethyl-3-(2-{[(5-methylfuran-2-yl)...)
Show SMILES CNC(=O)c1cccc(NC2C(NC(c3ccc(C)o3)C3(C)CCCO3)C(=O)C2=O)c1O
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n/an/a 2.20n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236791
PNG
(US9388149, 22 | US9580412, Example 22)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C25H29ClN4O6S2/c1-14-5-8-17(36-14)19(18-4-3-13-37-18)28-21-20(23(32)24(21)33)27-16-7-6-15(26)25(22(16)31)38(34,35)30-11-9-29(2)10-12-30/h5-8,18-19,27-28,31H,3-4,9-13H2,1-2H3
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n/an/a 2.20n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
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US Patent
n/an/a 3.40n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM172328
PNG
(US9090596, 8)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C27H29N3O8/c1-14-9-10-18(38-14)24(27(2)12-37-13-27)29-20-19(22(32)23(20)33)28-16-7-4-6-15(21(16)31)25(34)30-11-5-8-17(30)26(35)36-3/h4,6-7,9-10,17,24,28-29,31H,5,8,11-13H2,1-3H3/t17-,24+/s2
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US Patent
n/an/a 5.80n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The experiments were carried out on the FLIPR TETRA.RTM. platform from Molecular Devices. After the basal level had been read, the compounds were add...


Citation and Details
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236795
PNG
(US9388149, 2 (Diastereoisomer 1) | US9388149, 2 (D...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C23H25N3O5S/c1-12-9-10-15(31-12)17(16-8-5-11-32-16)25-19-18(21(28)22(19)29)24-14-7-4-6-13(20(14)27)23(30)26(2)3/h4,6-7,9-10,16-17,24-25,27H,5,8,11H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236789
PNG
(US9388149, 20 | US9580412, Example 20)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/s2
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n/an/a 8.80n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM291177
PNG
(US9580412, Example 6 | US9580412, Example 7 | meth...)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O |r|
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n/an/a 9.70n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236788
PNG
(US9388149, 19 | US9580412, Example 19)
Show SMILES COC(=O)CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C25H27N3O7S/c1-13-9-10-16(35-13)19(17-8-5-11-36-17)27-21-20(23(31)24(21)32)26-15-7-4-6-14(22(15)30)25(33)28(2)12-18(29)34-3/h4,6-7,9-10,17,19,26-27,30H,5,8,11-12H2,1-3H3/t17?,19-/s2
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Article
n/an/a 11n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM236787
PNG
(US9388149, 18 | US9580412, Example 18)
Show SMILES CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@H](C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1/C24H24F3N3O5S/c1-12-8-9-15(35-12)17(16-7-4-10-36-16)29-19-18(21(32)22(19)33)28-14-6-3-5-13(20(14)31)23(34)30(2)11-24(25,26)27/h3,5-6,8-9,16-17,28-29,31H,4,7,10-11H2,1-2H3/t16?,17-/s2
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n/an/a 60n/an/an/an/an/an/a



University of Auckland





J Med Chem 48: 4628-53 (2005)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM50396184
PNG
(REDIOCIDE A)
Show SMILES CC(C)CC(=O)O[C@H]1\C=C\C=C\C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(O[C@@H]([C@@H](C)[C@]32O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C)c1ccccc1
Show InChI InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10+,15-11+/t23-,24-,25+,26+,28-,29-,30+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,44?/m0/s1
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Article
PubMed
n/an/a 261n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of CCR6 expressed in HEK293 cells assessed as inhibition of calcium influx after 10 mins by Fluo-4-AM based fluorimetry


J Nat Prod 75: 1058-62 (2012)

More data for this
Ligand-Target Pair
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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PCBioAssay
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)

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)

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)

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)

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)

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 5.22E+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)

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 5.84E+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)

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 7.82E+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)

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 9.03E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80006
PNG
(2,5-diphenyl-N'-(phenylcarbonyl)pyrazole-3-carbohy...)
Show SMILES O=C(NNC(=O)c1ccccc1)c1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O2/c28-22(18-12-6-2-7-13-18)24-25-23(29)21-16-20(17-10-4-1-5-11-17)26-27(21)19-14-8-3-9-15-19/h1-16H,(H,24,28)(H,25,29)
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n/an/a 9.41E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM80031
PNG
(MLS001002995 | N-(4-morpholin-4-ylsulfonylphenyl)-...)
Show SMILES O=C(CSc1cccc2cccnc12)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H21N3O4S2/c25-20(15-29-19-5-1-3-16-4-2-10-22-21(16)19)23-17-6-8-18(9-7-17)30(26,27)24-11-13-28-14-12-24/h1-10H,11-15H2,(H,23,25)
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n/an/a 9.50E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM50198921
PNG
(CHEMBL3889627)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cccc2[nH]ccc12
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n/an/a<1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR6 assessed as inhibition of CCL20/MIP-3alpha-induced calcium flux


Bioorg Med Chem Lett 26: 5277-5283 (2016)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM50198920
PNG
(CHEMBL3951018)
Show SMILES CC1CCN(CC1)C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
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n/an/a<1.00E+4n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human CCR6 assessed as inhibition of CCL20/MIP-3alpha-induced calcium flux


Bioorg Med Chem Lett 26: 5277-5283 (2016)

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 1.04E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM54428
PNG
(2-(4-methylphenyl)sulfonyl-5-nitro-pyridine | 2-(4...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1ccc(cn1)[N+]([O-])=O
Show InChI InChI=1S/C12H10N2O4S/c1-9-2-5-11(6-3-9)19(17,18)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
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n/an/a 1.04E+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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM60214
PNG
(4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benza...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
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n/an/a 1.10E+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, CA...


PubChem Bioassay (2011)

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)

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)

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)

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)

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 1.37E+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)

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)

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)

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)

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)

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)

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

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)

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)

More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM52304
PNG
(1-(3-Methoxy-propyl)-3-(1-methyl-1H-benzoimidazol-...)
Show SMILES COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H22N6O/c1-27-17-11-6-5-10-16(17)26-21(27)18-19-22(28(20(18)23)12-7-13-29-2)25-15-9-4-3-8-14(15)24-19/h3-6,8-11H,7,12-13,23H2,1-2H3
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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)

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)
UniProtKB/SwissProt

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UniChem
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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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
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