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Compile Data Set for Download or QSAR

Found 104 hits of ec50 data for polymerid = 49001214   
Target
(Institution)
LigandTarget
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
LARGE


(Homo sapiens)
BDBM94758
PNG
(MLS002589361 | N-[4-(5-p-anisyl-1,2,4-oxadiazol-3-...)
Show SMILES COc1ccc(Cc2nc(no2)-c2ccc(NC(=O)c3cccnc3)cc2)cc1
Show InChI InChI=1S/C22H18N4O3/c1-28-19-10-4-15(5-11-19)13-20-25-21(26-29-20)16-6-8-18(9-7-16)24-22(27)17-3-2-12-23-14-17/h2-12,14H,13H2,1H3,(H,24,27)
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n/an/an/an/a 1.52E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94733
PNG
(MLS001061376 | N-[2-(dimethylamino)-2-(4-ethylphen...)
Show SMILES CCc1ccc(cc1)C(CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O)N(C)C
Show InChI InChI=1S/C27H27FN4O2S/c1-4-17-9-11-18(12-10-17)24(31(2)3)16-29-25(33)19-13-14-20-22(15-19)30-27(35)32(26(20)34)23-8-6-5-7-21(23)28/h5-15,24H,4,16H2,1-3H3,(H,29,33)(H,30,35)
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n/an/an/an/a 1.90E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94746
PNG
(4-tert-butyl-N-[4-(3-pyridylmethylcarbamoyl)phenyl...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C24H25N3O2/c1-24(2,3)20-10-6-19(7-11-20)23(29)27-21-12-8-18(9-13-21)22(28)26-16-17-5-4-14-25-15-17/h4-15H,16H2,1-3H3,(H,26,28)(H,27,29)
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n/an/an/an/a 2.48E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM72784
PNG
(4-[acetyl(phenylsulfonyl)amino]-2-chloro-1-naphthy...)
Show SMILES CC(=O)Oc1c(Cl)cc(N(C(C)=O)S(=O)(=O)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16ClNO5S/c1-13(23)22(28(25,26)15-8-4-3-5-9-15)19-12-18(21)20(27-14(2)24)17-11-7-6-10-16(17)19/h3-12H,1-2H3
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n/an/an/an/a 3.17E+3n/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM50257751
PNG
(CHEMBL494326 | N-benzyl-6-bromoquinazolin-4-amine ...)
Show SMILES Brc1ccc2ncnc(NCc3ccccc3)c2c1
Show InChI InChI=1S/C15H12BrN3/c16-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)
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n/an/an/an/a 3.34E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94736
PNG
(3-(4-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-...)
Show SMILES Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C19H16ClN5/c1-13-10-18(22-11-16-4-2-3-9-21-16)25-19(24-13)17(12-23-25)14-5-7-15(20)8-6-14/h2-10,12,22H,11H2,1H3
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n/an/an/an/a 3.48E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94768
PNG
(4-(4-chlorophenyl)-N-(4-propan-2-ylphenyl)-2,3-dih...)
Show SMILES CC(C)c1ccc(NC(=O)C2Cc3c(O2)nccc3-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN2O2/c1-14(2)15-5-9-18(10-6-15)26-22(27)21-13-20-19(11-12-25-23(20)28-21)16-3-7-17(24)8-4-16/h3-12,14,21H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 3.98E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94644
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-methyl-1,3-thiazol-2-a...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NC)n1
Show InChI InChI=1S/C14H15N3S/c1-3-9-5-4-6-10-11(7-16-13(9)10)12-8-18-14(15-2)17-12/h4-8,16H,3H2,1-2H3,(H,15,17)
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n/an/an/an/a 3.99E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94645
PNG
(MLS-0356781.0001 | N-butan-2-yl-4-(1H-indol-3-yl)-...)
Show SMILES CCC(C)Nc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H17N3S/c1-3-10(2)17-15-18-14(9-19-15)12-8-16-13-7-5-4-6-11(12)13/h4-10,16H,3H2,1-2H3,(H,17,18)
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n/an/an/an/a 4.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94650
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazo...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NCC=C)n1
Show InChI InChI=1S/C16H17N3S/c1-3-8-17-16-19-14(10-20-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,17,19)
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n/an/an/an/a 4.50E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM51920
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-(1-methoxypropan-2-yl)...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
Show InChI InChI=1S/C17H21N3OS/c1-4-12-6-5-7-13-14(8-18-16(12)13)15-10-22-17(20-15)19-11(2)9-21-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20)
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n/an/an/an/a 4.56E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM64181
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-t...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NCCOC)n1
Show InChI InChI=1S/C16H19N3OS/c1-3-11-5-4-6-12-13(9-18-15(11)12)14-10-21-16(19-14)17-7-8-20-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,19)
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n/an/an/an/a 4.75E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM51920
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-(1-methoxypropan-2-yl)...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NC(C)COC)n1
Show InChI InChI=1S/C17H21N3OS/c1-4-12-6-5-7-13-14(8-18-16(12)13)15-10-22-17(20-15)19-11(2)9-21-3/h5-8,10-11,18H,4,9H2,1-3H3,(H,19,20)
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n/an/an/an/a 4.83E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM64181
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)-1,3-t...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NCCOC)n1
Show InChI InChI=1S/C16H19N3OS/c1-3-11-5-4-6-12-13(9-18-15(11)12)14-10-21-16(19-14)17-7-8-20-2/h4-6,9-10,18H,3,7-8H2,1-2H3,(H,17,19)
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n/an/an/an/a 4.88E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM91508
PNG
(2-chloranyl-3-(furan-2-ylmethylamino)naphthalene-1...)
Show SMILES Oc1c(Cl)c(N=Cc2ccco2)c(O)c2ccccc12
Show InChI InChI=1S/C15H10ClNO3/c16-12-13(17-8-9-4-3-7-20-9)15(19)11-6-2-1-5-10(11)14(12)18/h1-8,18-19H
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n/an/an/an/a 4.97E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM51800
PNG
(4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine | 4...)
Show SMILES CNc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C12H11N3S/c1-13-12-15-11(7-16-12)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,13,15)
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n/an/an/an/a 4.99E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94649
PNG
(4-(1H-indol-3-yl)-N-(2-phenylethyl)-1,3-thiazol-2-...)
Show SMILES C(Cc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H17N3S/c1-2-6-14(7-3-1)10-11-20-19-22-18(13-23-19)16-12-21-17-9-5-4-8-15(16)17/h1-9,12-13,21H,10-11H2,(H,20,22)
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n/an/an/an/a 5.13E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94709
PNG
(4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dim...)
Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O
Show InChI InChI=1S/C26H30N2O5/c1-4-33-19-11-9-18(10-12-19)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3
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n/an/an/an/a 5.60E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94654
PNG
(4-(1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazol-2-amin...)
Show SMILES C=CCNc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H13N3S/c1-2-7-15-14-17-13(9-18-14)11-8-16-12-6-4-3-5-10(11)12/h2-6,8-9,16H,1,7H2,(H,15,17)
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n/an/an/an/a 5.69E+3n/an/an/an/a



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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94738
PNG
(MLS001209939 | N-(4,5-Dihydro-1H-imidazol-2-yl)-N&...)
Show SMILES CCCCCOc1ccc(cc1)C(C)=NNC1=NCCN1
Show InChI InChI=1S/C16H24N4O/c1-3-4-5-12-21-15-8-6-14(7-9-15)13(2)19-20-16-17-10-11-18-16/h6-9H,3-5,10-12H2,1-2H3,(H2,17,18,20)
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n/an/an/an/a 5.81E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94757
PNG
(MLS002248660 | N-(4-methyl-3-morpholin-4-ylsulfony...)
Show SMILES Cc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C16H17N3O6S2/c1-11-2-3-12(17-16(20)13-4-5-15(26-13)19(21)22)10-14(11)27(23,24)18-6-8-25-9-7-18/h2-5,10H,6-9H2,1H3,(H,17,20)
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n/an/an/an/a 5.92E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM83897
PNG
(2-Nitro-benzoic acid 4-(3-benzotriazol-1-yl-1,4-di...)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)Oc1ccc(cc1)\[NH+]=C1\[C-](C(=O)c2ccccc2C1=O)[n+]1n[n-]c2ccccc12
Show InChI InChI=1S/C29H17N5O6/c35-27-19-7-1-2-8-20(19)28(36)26(33-24-12-6-4-10-22(24)31-32-33)25(27)30-17-13-15-18(16-14-17)40-29(37)21-9-3-5-11-23(21)34(38)39/h1-16H,(H,30,31,32,36)
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n/an/an/an/a 5.95E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94761
PNG
(3-[1-benzothiophen-2-ylmethyl(methyl)amino]-2-ethy...)
Show SMILES CCc1nc2ccc(cn2c1N(C)Cc1cc2ccccc2s1)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C32H35N5OS/c1-3-28-32(35(2)22-27-19-24-11-7-8-12-29(24)39-27)37-21-25(13-14-30(37)34-28)31(38)33-26-15-17-36(18-16-26)20-23-9-5-4-6-10-23/h4-14,19,21,26H,3,15-18,20,22H2,1-2H3,(H,33,38)
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n/an/an/an/a 6.07E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94742
PNG
(4-(cycloheptylamino)-N-[3-(dimethylamino)propyl]-3...)
Show SMILES CN(C)CCCNS(=O)(=O)c1ccc(NC2CCCCCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H30N4O4S/c1-21(2)13-7-12-19-27(25,26)16-10-11-17(18(14-16)22(23)24)20-15-8-5-3-4-6-9-15/h10-11,14-15,19-20H,3-9,12-13H2,1-2H3
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n/an/an/an/a 6.11E+3n/an/an/an/a



Burnham Center for Chemical Genomics

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PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94752
PNG
((6-bromo-2-p-cumenyl-4-quinolyl)-morpholino-methan...)
Show SMILES CC(C)c1ccc(cc1)-c1cc(C(=O)N2CCOCC2)c2cc(Br)ccc2n1
Show InChI InChI=1S/C23H23BrN2O2/c1-15(2)16-3-5-17(6-4-16)22-14-20(23(27)26-9-11-28-12-10-26)19-13-18(24)7-8-21(19)25-22/h3-8,13-15H,9-12H2,1-2H3
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n/an/an/an/a 6.31E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94714
PNG
(1-[2-[(4-isobutoxybenzyl)thio]ethyl]-3-phenyl-thio...)
Show SMILES CC(C)COc1ccc(CSCCNC(=S)Nc2ccccc2)cc1
Show InChI InChI=1S/C20H26N2OS2/c1-16(2)14-23-19-10-8-17(9-11-19)15-25-13-12-21-20(24)22-18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H2,21,22,24)
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n/an/an/an/a 6.37E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94722
PNG
(MLS000587421 | N-[1-(5-Nitro-thiophen-2-yl)-meth-(...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)c2ccccc2)s1
Show InChI InChI=1S/C14H12N4O4S/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19)/b16-8+
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n/an/an/an/a 6.46E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM90365
PNG
(9,10-dimethoxy-3,4-dihydro-2H-[1,3]thiazino[3'...)
Show SMILES COc1cc2[nH]c3c(nc4SCCCn4c3=O)c2cc1OC
Show InChI InChI=1S/C15H15N3O3S/c1-20-10-6-8-9(7-11(10)21-2)16-13-12(8)17-15-18(14(13)19)4-3-5-22-15/h6-7,16H,3-5H2,1-2H3
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n/an/an/an/a 6.47E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM67159
PNG
(2-(2,3-diketoindolin-1-yl)acetic acid isopropyl es...)
Show SMILES CC(C)OC(=O)CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H13NO4/c1-8(2)18-11(15)7-14-10-6-4-3-5-9(10)12(16)13(14)17/h3-6,8H,7H2,1-2H3
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n/an/an/an/a 6.56E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94759
PNG
(4-[(5-methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2...)
Show SMILES Cc1cc(NC2=CC(=O)C(=O)c3ccccc23)no1
Show InChI InChI=1S/C14H10N2O3/c1-8-6-13(16-19-8)15-11-7-12(17)14(18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,16)
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n/an/an/an/a 6.66E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94718
PNG
(MLS000391919 | N-(1-naphthalenyl)-5-nitro-2-thioph...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C15H10N2O3S/c18-15(13-8-9-14(21-13)17(19)20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,18)
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n/an/an/an/a 6.88E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM83885
PNG
((3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-butyl-1-i...)
Show SMILES CCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H20BrN3O4S/c1-2-3-12-26-13-14-27(15-26)21-20(22(28)18-6-4-5-7-19(18)23(21)29)25-32(30,31)17-10-8-16(24)9-11-17/h4-11,13-15H,2-3,12H2,1H3
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n/an/an/an/a 6.95E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM64296
PNG
(MLS001126583 | N-[3-(3-chlorophenyl)phenyl]-1-[(1-...)
Show SMILES CCn1cc(CN2CCC(CC2)C(=O)Nc2cccc(c2)-c2cccc(Cl)c2)c(C)n1
Show InChI InChI=1S/C25H29ClN4O/c1-3-30-17-22(18(2)28-30)16-29-12-10-19(11-13-29)25(31)27-24-9-5-7-21(15-24)20-6-4-8-23(26)14-20/h4-9,14-15,17,19H,3,10-13,16H2,1-2H3,(H,27,31)
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n/an/an/an/a 6.99E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94645
PNG
(MLS-0356781.0001 | N-butan-2-yl-4-(1H-indol-3-yl)-...)
Show SMILES CCC(C)Nc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H17N3S/c1-3-10(2)17-15-18-14(9-19-15)12-8-16-13-7-5-4-6-11(12)13/h4-10,16H,3H2,1-2H3,(H,17,18)
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n/an/an/an/a 7.05E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94764
PNG
(4-[amino(cyclohexyl)methyl]-N-(6-phenoxy-4-pyrimid...)
Show SMILES NC(C1CCCCC1)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1
Show InChI InChI=1S/C20H23N5OS/c21-19(14-7-3-1-4-8-14)16-12-27-20(24-16)25-17-11-18(23-13-22-17)26-15-9-5-2-6-10-15/h2,5-6,9-14,19H,1,3-4,7-8,21H2,(H,22,23,24,25)
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n/an/an/an/a 7.32E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94717
PNG
(2-chloranyl-N-[2-[(2E)-2-[(5-nitrothiophen-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)CNC(=O)c2ccccc2Cl)s1
Show InChI InChI=1S/C14H11ClN4O4S/c15-11-4-2-1-3-10(11)14(21)16-8-12(20)18-17-7-9-5-6-13(24-9)19(22)23/h1-7H,8H2,(H,16,21)(H,18,20)/b17-7+
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n/an/an/an/a 7.48E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94763
PNG
(2-N-(2-methoxyethyl)-4-N-(2-phenoxyethyl)-6-phenyl...)
Show SMILES COCCNc1nc(NCCOc2ccccc2)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C23H24N4O2S/c1-28-14-12-25-23-26-19-16-20(17-8-4-2-5-9-17)30-21(19)22(27-23)24-13-15-29-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H2,24,25,26,27)
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n/an/an/an/a 7.86E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94769
PNG
(4-[3-(cyclohexylmethyl)-2-imidazo[2,1-a]isoquinoli...)
Show SMILES N#Cc1ccc(cc1)-c1nc2c3ccccc3ccn2c1CC1CCCCC1
Show InChI InChI=1S/C25H23N3/c26-17-19-10-12-21(13-11-19)24-23(16-18-6-2-1-3-7-18)28-15-14-20-8-4-5-9-22(20)25(28)27-24/h4-5,8-15,18H,1-3,6-7,16H2
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n/an/an/an/a 7.97E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94749
PNG
(1-methyl-N-[3-(3-methyl-1-piperidinyl)propyl]-4H-t...)
Show SMILES CC1CCCN(CCCNC(=O)c2nn(C)c-3c2CSc2ccccc-32)C1
Show InChI InChI=1S/C21H28N4OS/c1-15-7-5-11-25(13-15)12-6-10-22-21(26)19-17-14-27-18-9-4-3-8-16(18)20(17)24(2)23-19/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,22,26)
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n/an/an/an/a 8.18E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94723
PNG
(MLS000662117 | N'-(4-amoxyphenyl)-N-[(1-ethylpyrro...)
Show SMILES CCCCCOc1ccc(NC(=O)C(=O)NCC2CCCN2CC)cc1
Show InChI InChI=1S/C20H31N3O3/c1-3-5-6-14-26-18-11-9-16(10-12-18)22-20(25)19(24)21-15-17-8-7-13-23(17)4-2/h9-12,17H,3-8,13-15H2,1-2H3,(H,21,24)(H,22,25)
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n/an/an/an/a 8.54E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94741
PNG
(1-(3-chloranyl-4-fluoranyl-phenyl)-3-[[1-[(3-methy...)
Show SMILES Cc1cccc(CN2CCC(CNC(=O)Nc3ccc(F)c(Cl)c3)CC2)c1
Show InChI InChI=1S/C21H25ClFN3O/c1-15-3-2-4-17(11-15)14-26-9-7-16(8-10-26)13-24-21(27)25-18-5-6-20(23)19(22)12-18/h2-6,11-12,16H,7-10,13-14H2,1H3,(H2,24,25,27)
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n/an/an/an/a 8.57E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94653
PNG
(4-(1H-indol-3-yl)-N-(1-phenylpropan-2-yl)-1,3-thia...)
Show SMILES CC(Cc1ccccc1)Nc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3S/c1-14(11-15-7-3-2-4-8-15)22-20-23-19(13-24-20)17-12-21-18-10-6-5-9-16(17)18/h2-10,12-14,21H,11H2,1H3,(H,22,23)
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n/an/an/an/a 8.68E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM87615
PNG
(3,6-Di-pyridin-3-yl-[1,2,4,5]tetrazine | 3,6-bis(3...)
Show SMILES c1cncc(c1)-c1nnc(nn1)-c1cccnc1
Show InChI InChI=1S/C12H8N6/c1-3-9(7-13-5-1)11-15-17-12(18-16-11)10-4-2-6-14-8-10/h1-8H
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n/an/an/an/a 8.73E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94730
PNG
(MLS000703499 | N-(2-fluorophenyl)-5-nitro-2-thioph...)
Show SMILES [O-][N+](=O)c1ccc(s1)C(=O)Nc1ccccc1F
Show InChI InChI=1S/C11H7FN2O3S/c12-7-3-1-2-4-8(7)13-11(15)9-5-6-10(18-9)14(16)17/h1-6H,(H,13,15)
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n/an/an/an/a 8.89E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM64392
PNG
(1-(4-methoxy-2,3-dimethyl-benzyl)-N-[4-(3-pyridylo...)
Show SMILES COc1ccc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)c(C)c1C
Show InChI InChI=1S/C27H31N3O3/c1-19-20(2)26(32-3)11-6-22(19)18-30-15-12-21(13-16-30)27(31)29-23-7-9-24(10-8-23)33-25-5-4-14-28-17-25/h4-11,14,17,21H,12-13,15-16,18H2,1-3H3,(H,29,31)
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n/an/an/an/a 8.89E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94762
PNG
(4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4-methylsul...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc(cs2)C(N)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H18ClN3O2S2/c1-26(23,24)15-8-6-14(7-9-15)21-18-22-17(11-25-18)16(20)10-12-2-4-13(19)5-3-12/h2-9,11,16H,10,20H2,1H3,(H,21,22)
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n/an/an/an/a 8.93E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94716
PNG
((E)-N-[6-(isopropylsulfamoyl)-1,3-benzothiazol-2-y...)
Show SMILES COc1cc(\C=C\C(=O)Nc2nc3ccc(cc3s2)S(=O)(=O)NC(C)C)cc(OC)c1OC
Show InChI InChI=1S/C22H25N3O6S2/c1-13(2)25-33(27,28)15-7-8-16-19(12-15)32-22(23-16)24-20(26)9-6-14-10-17(29-3)21(31-5)18(11-14)30-4/h6-13,25H,1-5H3,(H,23,24,26)/b9-6+
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n/an/an/an/a 9.21E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94650
PNG
(4-(7-ethyl-1H-indol-3-yl)-N-prop-2-enyl-1,3-thiazo...)
Show SMILES CCc1cccc2c(c[nH]c12)-c1csc(NCC=C)n1
Show InChI InChI=1S/C16H17N3S/c1-3-8-17-16-19-14(10-20-16)13-9-18-15-11(4-2)6-5-7-12(13)15/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,17,19)
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n/an/an/an/a 9.24E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94750
PNG
(1-(2-besylethyl)-5-fluoro-isatin | 1-[2-(benzenesu...)
Show SMILES Fc1ccc2N(CCS(=O)(=O)c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H12FNO4S/c17-11-6-7-14-13(10-11)15(19)16(20)18(14)8-9-23(21,22)12-4-2-1-3-5-12/h1-7,10H,8-9H2
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n/an/an/an/a 9.36E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
LARGE


(Homo sapiens)
BDBM94732
PNG
((E)-3-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-N-[3...)
Show SMILES CN(C)CCCNC(=O)\C=C\c1ccc(OCc2c(F)cccc2Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O2/c1-25(2)14-4-13-24-21(26)12-9-16-7-10-17(11-8-16)27-15-18-19(22)5-3-6-20(18)23/h3,5-12H,4,13-15H2,1-2H3,(H,24,26)/b12-9+
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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n/an/an/an/a 9.37E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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