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Compile Data Set for Download or QSAR

Found 33 hits from Bristol-Myers Squibb Pharmaceuticals   
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
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123310
PNG
(1,3-Diethyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2cn(C)c3ccccc23)C1=O
Show InChI InChI=1S/C18H19N3O2S/c1-4-20-16(22)14(17(23)21(5-2)18(20)24)10-12-11-19(3)15-9-7-6-8-13(12)15/h6-11H,4-5H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123291
PNG
(3-Ethyl-5-[1-[5-(2-methyl-5-trifluoromethyl-2H-pyr...)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(s2)-c2cc(nn2C)C(F)(F)F)C1=O
Show InChI InChI=1S/C15H12F3N3OS3/c1-3-21-13(22)11(25-14(21)23)6-8-4-5-10(24-8)9-7-12(15(16,17)18)19-20(9)2/h4-7H,3H2,1-2H3/b11-6-
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123293
PNG
(2-Allyl-6,8-dimethoxy-9-methyl-1-thioxo-1,2-dihydr...)
Show SMILES COc1cc(OC)c2c(c1)n1c(c(S)n(CC=C)c1=O)c2=C
Show InChI InChI=1S/C16H16N2O3S/c1-5-6-17-15(22)14-9(2)13-11(18(14)16(17)19)7-10(20-3)8-12(13)21-4/h5,7-8,22H,1-2,6H2,3-4H3
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123283
PNG
(2-Allyl-6,8-dimethoxy-9-methyl-imidazo[1,5-a]indol...)
Show SMILES COc1cc(OC)c2c(c1)n1c(c(S)n(CC=C)c1=S)c2=C
Show InChI InChI=1S/C16H16N2O2S2/c1-5-6-17-15(21)14-9(2)13-11(18(14)16(17)22)7-10(19-3)8-12(13)20-4/h5,7-8,21H,1-2,6H2,3-4H3
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n/an/a 210n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123285
PNG
(2-Ethyl-8-methoxy-6-methoxymethoxy-3-thioxo-2,3-di...)
Show SMILES CCN1C(=O)c2cc3c(OC)cc(OCOC)cc3n2C1=S
Show InChI InChI=1S/C15H16N2O4S/c1-4-16-14(18)12-7-10-11(17(12)15(16)22)5-9(21-8-19-2)6-13(10)20-3/h5-7H,4,8H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123288
PNG
(2-Allyl-6,8-dimethoxy-3-thioxo-2,3-dihydro-imidazo...)
Show SMILES COc1cc(OC)c2cc3C(=O)N(CC=C)C(=S)n3c2c1
Show InChI InChI=1S/C15H14N2O3S/c1-4-5-16-14(18)12-8-10-11(17(12)15(16)21)6-9(19-2)7-13(10)20-3/h4,6-8H,1,5H2,2-3H3
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n/an/a 280n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123289
PNG
(3-{5-[3-Ethyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylid...)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccsc2C(=O)OC)C1=O
Show InChI InChI=1S/C16H13NO4S3/c1-3-17-14(18)12(24-16(17)22)8-9-4-5-11(21-9)10-6-7-23-13(10)15(19)20-2/h4-8H,3H2,1-2H3/b12-8-
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n/an/a 300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123298
PNG
(2-Ethyl-8-methoxy-6-(pyridin-2-ylmethoxy)-3-thioxo...)
Show SMILES CCN1C(=O)c2cc3c(OC)cc(OCc4ccccn4)cc3n2C1=S
Show InChI InChI=1S/C19H17N3O3S/c1-3-21-18(23)16-10-14-15(22(16)19(21)26)8-13(9-17(14)24-2)25-11-12-6-4-5-7-20-12/h4-10H,3,11H2,1-2H3
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n/an/a 310n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123308
PNG
(3-Ethyl-2-thioxo-5-[1-[5-(2-trifluoromethyl-phenyl...)
Show SMILES CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccccc2C(F)(F)F)C1=O
Show InChI InChI=1S/C17H12F3NO2S2/c1-2-21-15(22)14(25-16(21)24)9-10-7-8-13(23-10)11-5-3-4-6-12(11)17(18,19)20/h3-9H,2H2,1H3/b14-9-
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n/an/a 320n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123287
PNG
((2-Ethyl-8-methoxy-1-oxo-3-thioxo-2,3-dihydro-1H-i...)
Show SMILES CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S
Show InChI InChI=1S/C19H22N2O5S/c1-6-20-17(23)14-9-12-13(21(14)18(20)27)7-11(8-15(12)24-5)25-10-16(22)26-19(2,3)4/h7-9H,6,10H2,1-5H3
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n/an/a 390n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123284
PNG
(5-(5-Benzyloxy-1H-indol-3-ylmethylene)-1,3-diethyl...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)C1=O
Show InChI InChI=1S/C24H23N3O3S/c1-3-26-22(28)20(23(29)27(4-2)24(26)31)12-17-14-25-21-11-10-18(13-19(17)21)30-15-16-8-6-5-7-9-16/h5-14,25H,3-4,15H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123307
PNG
(1,3-Diethyl-5-(7-methyl-1H-indol-3-ylmethylene)-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3c(C)cccc23)C1=O
Show InChI InChI=1S/C18H19N3O2S/c1-4-20-16(22)14(17(23)21(5-2)18(20)24)9-12-10-19-15-11(3)7-6-8-13(12)15/h6-10,19H,4-5H2,1-3H3
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n/an/a 600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123297
PNG
(2-Allyl-6,8-dimethoxy-1-thioxo-1,2-dihydro-imidazo...)
Show SMILES COc1cc(OC)c2cc3C(=S)N(CC=C)C(=O)n3c2c1
Show InChI InChI=1S/C15H14N2O3S/c1-4-5-16-14(21)12-8-10-11(17(12)15(16)18)6-9(19-2)7-13(10)20-3/h4,6-8H,1,5H2,2-3H3
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n/an/a 610n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123302
PNG
(6,8-Dimethoxy-2-(3-morpholin-4-yl-propyl)-3-thioxo...)
Show SMILES COc1cc(OC)c2cc3C(=O)N(CCCN4CCOCC4)C(=S)n3c2c1
Show InChI InChI=1S/C19H23N3O4S/c1-24-13-10-15-14(17(11-13)25-2)12-16-18(23)21(19(27)22(15)16)5-3-4-20-6-8-26-9-7-20/h10-12H,3-9H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123294
PNG
(2-Allyl-6,7,8-trimethoxy-3-thioxo-2,3-dihydro-imid...)
Show SMILES COc1cc2n3C(=S)N(CC=C)C(=O)c3cc2c(OC)c1OC
Show InChI InChI=1S/C16H16N2O4S/c1-5-6-17-15(19)11-7-9-10(18(11)16(17)23)8-12(20-2)14(22-4)13(9)21-3/h5,7-8H,1,6H2,2-4H3
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n/an/a 780n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123286
PNG
(5-(1H-Indol-3-ylmethylene)-2-thioxo-1,3-di-o-tolyl...)
Show SMILES Cc1ccccc1N1C(=S)N(C(=O)C(=Cc2c[nH]c3ccccc23)C1=O)c1ccccc1C
Show InChI InChI=1S/C27H21N3O2S/c1-17-9-3-7-13-23(17)29-25(31)21(15-19-16-28-22-12-6-5-11-20(19)22)26(32)30(27(29)33)24-14-8-4-10-18(24)2/h3-16,28H,1-2H3
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n/an/a 790n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123305
PNG
(1,3-Diethyl-5-(1H-indol-3-ylmethylene)-2-thioxo-di...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C17H17N3O2S/c1-3-19-15(21)13(16(22)20(4-2)17(19)23)9-11-10-18-14-8-6-5-7-12(11)14/h5-10,18H,3-4H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123313
PNG
(2-Ethyl-6,8-dimethoxy-3-thioxo-2,3-dihydro-imidazo...)
Show SMILES CCN1C(=O)c2cc3c(OC)cc(OC)cc3n2C1=S
Show InChI InChI=1S/C14H14N2O3S/c1-4-15-13(17)11-7-9-10(16(11)14(15)20)5-8(18-2)6-12(9)19-3/h5-7H,4H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123296
PNG
(2-Allyl-6,8-dimethoxy-9-methyl-3-thioxo-2,3-dihydr...)
Show SMILES COc1cc(OC)c2c(c1)n1c(c(O)n(CC=C)c1=S)c2=C
Show InChI InChI=1S/C16H16N2O3S/c1-5-6-17-15(19)14-9(2)13-11(18(14)16(17)22)7-10(20-3)8-12(13)21-4/h5,7-8,19H,1-2,6H2,3-4H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123281
PNG
(2-Allyl-6-methoxy-3-thioxo-2,3-dihydro-imidazo[1,5...)
Show SMILES COc1ccc2cc3C(=O)N(CC=C)C(=S)n3c2c1
Show InChI InChI=1S/C14H12N2O2S/c1-3-6-15-13(17)12-7-9-4-5-10(18-2)8-11(9)16(12)14(15)19/h3-5,7-8H,1,6H2,2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123295
PNG
(5-[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-2-thioxo-1-...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C20H15N3O2S/c1-12-6-2-5-9-17(12)23-19(25)15(18(24)22-20(23)26)10-13-11-21-16-8-4-3-7-14(13)16/h2-11,21H,1H3,(H,22,24,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123309
PNG
(6,8-Dimethoxy-2-phenethyl-3-thioxo-2,3-dihydro-imi...)
Show SMILES COc1cc(OC)c2cc3C(=O)N(CCc4ccccc4)C(=S)n3c2c1
Show InChI InChI=1S/C20H18N2O3S/c1-24-14-10-16-15(18(11-14)25-2)12-17-19(23)21(20(26)22(16)17)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123312
PNG
(1,3-Diethyl-2-thioxo-5-[5-(2-trifluoromethyl-pheny...)
Show SMILES CCN1C(=O)C(=Cc2ccc(o2)-c2ccccc2C(F)(F)F)C(=O)N(CC)C1=S
Show InChI InChI=1S/C20H17F3N2O3S/c1-3-24-17(26)14(18(27)25(4-2)19(24)29)11-12-9-10-16(28-12)13-7-5-6-8-15(13)20(21,22)23/h5-11H,3-4H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123301
PNG
(2-Allyl-8-methoxy-3-thioxo-2,3-dihydro-imidazo[1,5...)
Show SMILES COc1cccc2n3C(=S)N(CC=C)C(=O)c3cc12
Show InChI InChI=1S/C14H12N2O2S/c1-3-7-15-13(17)11-8-9-10(16(11)14(15)19)5-4-6-12(9)18-2/h3-6,8H,1,7H2,2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123304
PNG
(3-[5-(1,3-Diethyl-4,6-dioxo-2-thioxo-tetrahydro-py...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(o2)-c2ccsc2C(=O)OC)C1=O
Show InChI InChI=1S/C19H18N2O5S2/c1-4-20-16(22)13(17(23)21(5-2)19(20)27)10-11-6-7-14(26-11)12-8-9-28-15(12)18(24)25-3/h6-10H,4-5H2,1-3H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123290
PNG
(1,3-Diethyl-5-(5-methyl-thiophen-2-ylmethylene)-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(C)s2)C1=O
Show InChI InChI=1S/C14H16N2O2S2/c1-4-15-12(17)11(8-10-7-6-9(3)20-10)13(18)16(5-2)14(15)19/h6-8H,4-5H2,1-3H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123311
PNG
(5-(5-Bromo-thiophen-2-ylmethylene)-1,3-diethyl-2-t...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2ccc(Br)s2)C1=O
Show InChI InChI=1S/C13H13BrN2O2S2/c1-3-15-11(17)9(7-8-5-6-10(14)20-8)12(18)16(4-2)13(15)19/h5-7H,3-4H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123300
PNG
(1,3-Diethyl-5-(5-nitro-1H-indol-3-ylmethylene)-2-t...)
Show SMILES CCN1C(=O)C(=Cc2c[nH]c3ccc(cc23)[N+]([O-])=O)C(=O)N(CC)C1=S
Show InChI InChI=1S/C17H16N4O4S/c1-3-19-15(22)13(16(23)20(4-2)17(19)26)7-10-9-18-14-6-5-11(21(24)25)8-12(10)14/h5-9,18H,3-4H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123282
PNG
(1,3-Diethyl-5-(1H-indol-2-ylmethylene)-2-thioxo-di...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2cc3ccccc3[nH]2)C1=O
Show InChI InChI=1S/C17H17N3O2S/c1-3-19-15(21)13(16(22)20(4-2)17(19)23)10-12-9-11-7-5-6-8-14(11)18-12/h5-10,18H,3-4H2,1-2H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123292
PNG
(1,3-Diphenyl-2-thioxo-5-[5-(2-trifluoromethyl-phen...)
Show SMILES FC(F)(F)c1ccccc1-c1ccc(C=C2C(=O)N(C(=S)N(C2=O)c2ccccc2)c2ccccc2)o1
Show InChI InChI=1S/C28H17F3N2O3S/c29-28(30,31)23-14-8-7-13-21(23)24-16-15-20(36-24)17-22-25(34)32(18-9-3-1-4-10-18)27(37)33(26(22)35)19-11-5-2-6-12-19/h1-17H
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n/an/a 1.10E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123303
PNG
(5-(1H-Indol-3-ylmethylene)-1,3-dimethyl-2-thioxo-d...)
Show SMILES CN1C(=S)N(C)C(=O)C(=Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C15H13N3O2S/c1-17-13(19)11(14(20)18(2)15(17)21)7-9-8-16-12-6-4-3-5-10(9)12/h3-8,16H,1-2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123306
PNG
(1,3-Diethyl-5-(3-methyl-thiophen-2-ylmethylene)-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2sccc2C)C1=O
Show InChI InChI=1S/C14H16N2O2S2/c1-4-15-12(17)10(8-11-9(3)6-7-20-11)13(18)16(5-2)14(15)19/h6-8H,4-5H2,1-3H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50123299
PNG
(3-[5-(4,6-Dioxo-1,3-diphenyl-2-thioxo-tetrahydro-p...)
Show SMILES COC(=O)c1sccc1-c1ccc(C=C2C(=O)N(C(=S)N(C2=O)c2ccccc2)c2ccccc2)o1
Show InChI InChI=1S/C27H18N2O5S2/c1-33-26(32)23-20(14-15-36-23)22-13-12-19(34-22)16-21-24(30)28(17-8-4-2-5-9-17)27(35)29(25(21)31)18-10-6-3-7-11-18/h2-16H,1H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha binding to TNFRc1


Bioorg Med Chem Lett 13: 533-8 (2003)


Article DOI: 10.1016/s0960-894x(02)00941-1
BindingDB Entry DOI: 10.7270/Q2X929N3
More data for this
Ligand-Target Pair