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Compile Data Set for Download or QSAR

Found 365 hits of ic50 for UniProtKB: P34707   
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
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93711
PNG
(2-(2,4-dichlorophenyl)-5-phenyl-1,3,4-oxadiazole |...)
Show SMILES Clc1ccc(-c2nnc(o2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H8Cl2N2O/c15-10-6-7-11(12(16)8-10)14-18-17-13(19-14)9-4-2-1-3-5-9/h1-8H
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n/an/a 1.46E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93749
PNG
(2,5-Bis-(2-chloro-phenyl)-[1,3,4]oxadiazole | 2,5-...)
Show SMILES Clc1ccccc1-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C14H8Cl2N2O/c15-11-7-3-1-5-9(11)13-17-18-14(19-13)10-6-2-4-8-12(10)16/h1-8H
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n/an/a 1.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93818
PNG
((E)-3-(4-bromo-2-fluoro-anilino)-1-(2-furyl)prop-2...)
Show SMILES Fc1cc(Br)ccc1N=CCC(=O)c1ccco1 |w:8.8|
Show InChI InChI=1S/C13H9BrFNO2/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93724
PNG
(5-(5-bromanylfuran-2-yl)-3-phenyl-1,2,4-oxadiazole...)
Show SMILES Brc1ccc(o1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C12H7BrN2O2/c13-10-7-6-9(16-10)12-14-11(15-17-12)8-4-2-1-3-5-8/h1-7H
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n/an/a 2.54E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93779
PNG
(MLS000582941 | N-[[3-bromanyl-5-ethoxy-4-[(4-fluor...)
Show SMILES CCOc1cc(CNCCSc2nnnn2C)cc(Br)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C20H23BrFN5O2S/c1-3-28-18-11-15(12-23-8-9-30-20-24-25-26-27(20)2)10-17(21)19(18)29-13-14-4-6-16(22)7-5-14/h4-7,10-11,23H,3,8-9,12-13H2,1-2H3
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n/an/a 2.73E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93847
PNG
(MLS001018285 | N-(2-bromanyl-11H-pyrido[1,2-b][2,4...)
Show SMILES [O-][N+](=O)c1ccc(C(=O)\N=C2/[N-]c3ccc(Br)c[n+]3Cc3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H12BrN5O5/c21-13-5-8-18-22-19(15-4-2-1-3-12(15)10-24(18)11-13)23-20(27)16-7-6-14(25(28)29)9-17(16)26(30)31/h1-9,11H,10H2/b23-19-
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n/an/a 2.78E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93798
PNG
(6-nitro-2-phenyl-2H-indazole | 6-nitro-2-phenyl-in...)
Show SMILES [O-][N+](=O)c1ccc2cn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C13H9N3O2/c17-16(18)12-7-6-10-9-15(14-13(10)8-12)11-4-2-1-3-5-11/h1-9H
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n/an/a 2.81E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93762
PNG
(MLS000545696 | N-[[3-chloranyl-5-ethoxy-4-[(4-fluo...)
Show SMILES CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c1-2-25-20-12-16(13-24-18-5-3-4-6-18)11-19(22)21(20)26-14-15-7-9-17(23)10-8-15/h7-12,18,24H,2-6,13-14H2,1H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93938
PNG
(MLS003121441 | N-[2-ethyl-8-[4-(trifluoromethyl)be...)
Show SMILES CCc1nc2c(OCc3ccc(cc3)C(F)(F)F)cccn2c1N(C)C(=O)c1ccncc1
Show InChI InChI=1S/C24H21F3N4O2/c1-3-19-22(30(2)23(32)17-10-12-28-13-11-17)31-14-4-5-20(21(31)29-19)33-15-16-6-8-18(9-7-16)24(25,26)27/h4-14H,3,15H2,1-2H3
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n/an/a 3.57E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93825
PNG
(6-nitro-2-phenyl-1,3-benzoxazole | MLS000712632 | ...)
Show SMILES [O-][N+](=O)c1ccc2nc(oc2c1)-c1ccccc1
Show InChI InChI=1S/C13H8N2O3/c16-15(17)10-6-7-11-12(8-10)18-13(14-11)9-4-2-1-3-5-9/h1-8H
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n/an/a 3.84E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93889
PNG
(4-isopropyl-N-[4-(morpholin-4-ylmethyl)phenyl]benz...)
Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N2O2/c1-16(2)18-5-7-19(8-6-18)21(24)22-20-9-3-17(4-10-20)15-23-11-13-25-14-12-23/h3-10,16H,11-15H2,1-2H3,(H,22,24)
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n/an/a 4.79E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93781
PNG
((E)-3-(2,4-difluoroanilino)-1-(2-thienyl)prop-2-en...)
Show SMILES Fc1ccc(N=CCC(=O)c2cccs2)c(F)c1 |w:5.4|
Show InChI InChI=1S/C13H9F2NOS/c14-9-3-4-11(10(15)8-9)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2
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n/an/a 5.04E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49964
PNG
(MLS000771256 | N-[3-chloro-4-(difluoromethoxy)phen...)
Show SMILES FC(F)Oc1ccc(NC(=O)c2ccccn2)cc1Cl
Show InChI InChI=1S/C13H9ClF2N2O2/c14-9-7-8(4-5-11(9)20-13(15)16)18-12(19)10-3-1-2-6-17-10/h1-7,13H,(H,18,19)
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n/an/a 5.09E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93810
PNG
(4-(4-fluorophenyl)-2-(4-pyridyl)thiazole | 4-(4-fl...)
Show SMILES Fc1ccc(cc1)-c1csc(n1)-c1ccncc1
Show InChI InChI=1S/C14H9FN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-9H
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n/an/a 5.86E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93895
PNG
(2-[4-(2-chloro-4-fluoro-benzyl)oxyphenyl]-1,3,4-ox...)
Show SMILES Fc1ccc(COc2ccc(cc2)-c2nnco2)c(Cl)c1
Show InChI InChI=1S/C15H10ClFN2O2/c16-14-7-12(17)4-1-11(14)8-20-13-5-2-10(3-6-13)15-19-18-9-21-15/h1-7,9H,8H2
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n/an/a 6.40E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM32773
PNG
(MLS000057551 | N-[4-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES Clc1ccc(s1)-c1csc(NC(=O)c2cccs2)n1
Show InChI InChI=1S/C12H7ClN2OS3/c13-10-4-3-8(19-10)7-6-18-12(14-7)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16)
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n/an/a 6.63E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93786
PNG
(2-Amino-3-benzothiazol-2-yl-7-hydroxy-8-(2-methyl-...)
Show SMILES CC1CCCCN1Cc1c(O)ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O
Show InChI InChI=1S/C23H23N3O3S/c1-13-6-4-5-11-26(13)12-15-17(27)10-9-14-20(28)19(22(24)29-21(14)15)23-25-16-7-2-3-8-18(16)30-23/h2-3,7-10,13,27H,4-6,11-12,24H2,1H3
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n/an/a 6.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93876
PNG
(4-(4-fluorophenyl)-N-(2-pyridinyl)-2-thiazolamine ...)
Show SMILES Fc1ccc(cc1)-c1csc(Nc2ccccn2)n1
Show InChI InChI=1S/C14H10FN3S/c15-11-6-4-10(5-7-11)12-9-19-14(17-12)18-13-3-1-2-8-16-13/h1-9H,(H,16,17,18)
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n/an/a 7.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93800
PNG
(2-[(4-bromobenzyl)thio]-5-(2-furyl)-1,3,4-oxadiazo...)
Show SMILES Brc1ccc(CSc2nnc(o2)-c2ccco2)cc1
Show InChI InChI=1S/C13H9BrN2O2S/c14-10-5-3-9(4-6-10)8-19-13-16-15-12(18-13)11-2-1-7-17-11/h1-7H,8H2
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n/an/a 7.32E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93854
PNG
(2-[4-(4-fluorobenzyl)oxyphenyl]-1,3,4-oxadiazole |...)
Show SMILES Fc1ccc(COc2ccc(cc2)-c2nnco2)cc1
Show InChI InChI=1S/C15H11FN2O2/c16-13-5-1-11(2-6-13)9-19-14-7-3-12(4-8-14)15-18-17-10-20-15/h1-8,10H,9H2
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n/an/a 7.45E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93923
PNG
(1-[4-(4-nitrobenzyl)oxybenzyl]pyrrolidine | 1-[[4-...)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(CN3CCCC3)cc2)cc1
Show InChI InChI=1S/C18H20N2O3/c21-20(22)17-7-3-16(4-8-17)14-23-18-9-5-15(6-10-18)13-19-11-1-2-12-19/h3-10H,1-2,11-14H2
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n/an/a 8.62E+3n/an/an/an/an/an/a



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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49719
PNG
(2-chloranyl-3-[2-(4-fluorophenyl)-1,2,3,4-tetrazol...)
Show SMILES Fc1ccc(cc1)-n1nnc(n1)-c1cccnc1Cl
Show InChI InChI=1S/C12H7ClFN5/c13-11-10(2-1-7-15-11)12-16-18-19(17-12)9-5-3-8(14)4-6-9/h1-7H
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n/an/a 8.82E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93924
PNG
(1-[4-(4-nitrobenzyl)oxybenzyl]piperidine | 1-[[4-[...)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C19H22N2O3/c22-21(23)18-8-4-17(5-9-18)15-24-19-10-6-16(7-11-19)14-20-12-2-1-3-13-20/h4-11H,1-3,12-15H2
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n/an/a 8.89E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49198
PNG
(2-thienyl-[5-(2-thienyl)-2-thienyl]methanone | MLS...)
Show SMILES O=C(c1cccs1)c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H8OS3/c14-13(11-4-2-8-16-11)12-6-5-10(17-12)9-3-1-7-15-9/h1-8H
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n/an/a 9.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93871
PNG
(MLS001178763 | N-[[3-bromanyl-4-[(4-fluorophenyl)m...)
Show SMILES COc1cc(CNC(C)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C23H23BrFNO2/c1-16(19-6-4-3-5-7-19)26-14-18-12-21(24)23(22(13-18)27-2)28-15-17-8-10-20(25)11-9-17/h3-13,16,26H,14-15H2,1-2H3
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n/an/a 9.10E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93734
PNG
(3-(2-methylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazol...)
Show SMILES Cc1ccccc1-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-5-2-3-6-10(9)12-14-13(16-15-12)11-7-4-8-17-11/h2-8H,1H3
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n/an/a 9.31E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93917
PNG
(5-(4-morpholinyl)-1,5-diphenyl-1-penten-3-one | 5-...)
Show SMILES O=C(CC(N1CCOCC1)c1ccccc1)C=Cc1ccccc1 |w:16.17|
Show InChI InChI=1S/C21H23NO2/c23-20(12-11-18-7-3-1-4-8-18)17-21(19-9-5-2-6-10-19)22-13-15-24-16-14-22/h1-12,21H,13-17H2
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n/an/a 1.02E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93856
PNG
(3-(5-bromobenzo[b]furan-2-yl)-1H-pyrazole | 5-(5-b...)
Show SMILES Brc1ccc2oc(cc2c1)-c1cc[nH]n1
Show InChI InChI=1S/C11H7BrN2O/c12-8-1-2-10-7(5-8)6-11(15-10)9-3-4-13-14-9/h1-6H,(H,13,14)
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n/an/a 1.03E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93914
PNG
(2-(P-CHLOROSTYRYL)PYRIDINE | 2-[2-(4-chlorophenyl)...)
Show SMILES Clc1ccc(C=Cc2ccccn2)cc1
Show InChI InChI=1S/C13H10ClN/c14-12-7-4-11(5-8-12)6-9-13-3-1-2-10-15-13/h1-10H
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93709
PNG
(1-(4-phenylphenyl)imidazole | MLS000056801 | SMR00...)
Show SMILES c1cn(cn1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H12N2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-11-10-16-12-17/h1-12H
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n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93740
PNG
(2-(4-bromophenyl)-5-(2-furanyl)-1,3,4-oxadiazole |...)
Show SMILES Brc1ccc(cc1)-c1nnc(o1)-c1ccco1
Show InChI InChI=1S/C12H7BrN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H
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n/an/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM51918
PNG
(2-[[2-[2-(dimethylamino)ethylamino]-1-oxoethyl]ami...)
Show SMILES CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H29N3O3S/c1-4-31-25(30)23-21(17-32-24(23)27-22(29)16-26-14-15-28(2)3)20-12-10-19(11-13-20)18-8-6-5-7-9-18/h5-13,17,26H,4,14-16H2,1-3H3,(H,27,29)
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n/an/a 1.09E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93743
PNG
(3-[(4-chlorobenzyl)sulfanyl]-1-phenyl-1H-1,2,4-tri...)
Show SMILES Clc1ccc(CSc2ncn(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C15H12ClN3S/c16-13-8-6-12(7-9-13)10-20-15-17-11-19(18-15)14-4-2-1-3-5-14/h1-9,11H,10H2
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n/an/a 1.12E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49562
PNG
((E)-3-(3,4-difluoroanilino)-1-(2-thienyl)prop-2-en...)
Show SMILES Fc1ccc(cc1F)N=CCC(=O)c1cccs1 |w:8.8|
Show InChI InChI=1S/C13H9F2NOS/c14-10-4-3-9(8-11(10)15)16-6-5-12(17)13-2-1-7-18-13/h1-4,6-8H,5H2
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n/an/a 1.14E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM49288
PNG
((5-chloro-2-pyridyl)-[4-(2-thienyl)thiazol-2-yl]am...)
Show SMILES Clc1ccc(Nc2nc(cs2)-c2cccs2)nc1
Show InChI InChI=1S/C12H8ClN3S2/c13-8-3-4-11(14-6-8)16-12-15-9(7-18-12)10-2-1-5-17-10/h1-7H,(H,14,15,16)
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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




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93776
PNG
(MLS000580501 | N-[[3-chloranyl-4-[(4-fluorophenyl)...)
Show SMILES COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1
Show InChI InChI=1S/C20H23ClFNO2/c1-24-19-11-15(12-23-17-4-2-3-5-17)10-18(21)20(19)25-13-14-6-8-16(22)9-7-14/h6-11,17,23H,2-5,12-13H2,1H3
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n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM43399
PNG
((2Z)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11-
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n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM32081
PNG
(2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-...)
Show SMILES C(Sc1nc2ccccc2s1)c1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C16H11N3OS2/c1-2-4-14-13(3-1)18-16(22-14)21-9-11-5-7-12(8-6-11)15-19-17-10-20-15/h1-8,10H,9H2
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n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93915
PNG
(2-[2-(2,4-dichlorophenyl)ethenyl]pyridine | 2-[2-(...)
Show SMILES Clc1ccc(C=Cc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C13H9Cl2N/c14-11-6-4-10(13(15)9-11)5-7-12-3-1-2-8-16-12/h1-9H
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n/an/a 1.19E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93782
PNG
((4-nitrophenyl)-phenyl-amine | 4-nitro-N-phenyl-an...)
Show SMILES [O-][N+](=O)c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM43395
PNG
((2E)-2-[4-(diethylamino)benzylidene]-1,3-diketo-in...)
Show SMILES CCN(CC)c1ccc(\C=C2/C(=O)c3ccc(cc3C2=O)C(O)=O)cc1
Show InChI InChI=1S/C21H19NO4/c1-3-22(4-2)15-8-5-13(6-9-15)11-18-19(23)16-10-7-14(21(25)26)12-17(16)20(18)24/h5-12H,3-4H2,1-2H3,(H,25,26)/b18-11+
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n/an/a 1.22E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM50171428
PNG
(5-Thiophen-2-yl-3-p-tolyl-[1,2,4]oxadiazole | CHEM...)
Show SMILES Cc1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93897
PNG
(MLS001193363 | N-[4-(4-methyl-1-piperazinyl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H25N3O2/c1-26-15-17-27(18-16-26)21-11-9-20(10-12-21)25-24(28)19-7-13-23(14-8-19)29-22-5-3-2-4-6-22/h2-14H,15-18H2,1H3,(H,25,28)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93830
PNG
(4-phenyl-2-(4-pyridyl)thiazole | 4-phenyl-2-pyridi...)
Show SMILES c1sc(nc1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C14H10N2S/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12/h1-10H
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n/an/a 1.26E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93899
PNG
(MLS001172099 | N-(3-methylsulfanylphenyl)quinoline...)
Show SMILES CSc1cccc(NC(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C17H14N2OS/c1-21-14-8-3-7-13(11-14)19-17(20)15-9-2-5-12-6-4-10-18-16(12)15/h2-11H,1H3,(H,19,20)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93840
PNG
(3-phenyl-5-(phenylsulfanylmethyl)-1,2-oxazole | 3-...)
Show SMILES C(Sc1ccccc1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)16-11-14(18-17-16)12-19-15-9-5-2-6-10-15/h1-11H,12H2
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n/an/a 1.28E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93758
PNG
(MLS000534624 | N-[4-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES Clc1ccc(s1)-c1csc(NC(=O)c2ccccc2)n1
Show InChI InChI=1S/C14H9ClN2OS2/c15-12-7-6-11(20-12)10-8-19-14(16-10)17-13(18)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
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n/an/a 1.32E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93837
PNG
(2-chloranyl-5-[(4-nitrophenoxy)methyl]-1,3-thiazol...)
Show SMILES [O-][N+](=O)c1ccc(OCc2cnc(Cl)s2)cc1
Show InChI InChI=1S/C10H7ClN2O3S/c11-10-12-5-9(17-10)6-16-8-3-1-7(2-4-8)13(14)15/h1-5H,6H2
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n/an/a 1.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM65527
PNG
(3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid (...)
Show SMILES CCN(CC)Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1
Show InChI InChI=1S/C20H20Cl2N2OS/c1-3-24(4-2)12-13-5-8-15(9-6-13)23-20(25)19-18(22)16-10-7-14(21)11-17(16)26-19/h5-11H,3-4,12H2,1-2H3,(H,23,25)
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n/an/a 1.38E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair
Protein skinhead-1


(Caenorhabditis elegans)
BDBM93891
PNG
(4-ethyl-N-(2-methyl-6-quinolinyl)benzamide | 4-eth...)
Show SMILES CCc1ccc(cc1)C(=O)Nc1ccc2nc(C)ccc2c1
Show InChI InChI=1S/C19H18N2O/c1-3-14-5-8-15(9-6-14)19(22)21-17-10-11-18-16(12-17)7-4-13(2)20-18/h4-12H,3H2,1-2H3,(H,21,22)
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n/an/a 1.42E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
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Ligand-Target Pair
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