Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'strzemienski' and Initial = 'p'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123310 (1,3-Diethyl-5-(1-methyl-1H-indol-3-ylmethylene)-2-...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2cn(-[#6])c3ccccc23)-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123291 (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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123293 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123283 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123285 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123288 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123289 (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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123298 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123308 (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-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123287 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123284 (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 |(19.82,-5.92,;18.51,-5.1,;18.58,-3.56,;17.22,-2.82,;15.89,-3.61,;17.2,-1.27,;15.86,-.45,;14.51,-1.2,;18.51,-.48,;18.48,1.07,;19.86,-1.22,;21.18,-.43,;22.54,-1.17,;22.73,-2.7,;24.24,-2.98,;24.97,-1.62,;26.47,-1.27,;26.93,.2,;25.86,1.33,;26.3,2.8,;27.8,3.17,;28.24,4.65,;27.19,5.77,;27.61,7.24,;29.14,7.59,;30.19,6.48,;29.74,5,;24.36,.97,;23.92,-.5,;19.89,-2.76,;21.25,-3.51,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123307 (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 |(19.91,-1.06,;18.6,-.24,;18.66,1.28,;17.31,2.03,;15.99,1.24,;17.29,3.57,;15.96,4.39,;14.6,3.66,;18.59,4.37,;18.57,5.93,;19.95,3.62,;21.27,4.42,;22.62,3.68,;22.81,2.15,;24.32,1.86,;25.05,3.22,;26.55,3.57,;27.61,2.44,;27,5.04,;25.94,6.17,;24.44,5.81,;24,4.34,;19.98,2.09,;21.34,1.35,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123297 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123302 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123294 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123286 (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 |(14.85,3.89,;13.35,3.48,;12.26,4.59,;10.76,4.17,;10.36,2.66,;11.46,1.56,;12.96,1.98,;14.05,.88,;13.72,-.63,;12.26,-1.1,;14.86,-1.66,;16.34,-1.2,;17.48,-2.22,;16.64,.3,;18.11,.79,;19.26,-.26,;19.09,-1.78,;20.49,-2.41,;21.52,-1.27,;23.06,-1.27,;23.83,.06,;23.06,1.39,;21.52,1.39,;20.77,.07,;15.52,1.35,;15.84,2.85,;14.45,-3.15,;12.96,-3.52,;12.55,-5,;13.63,-6.1,;15.12,-5.7,;15.52,-4.23,;17.02,-3.83,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123305 (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 |(13.38,3.48,;12.98,1.98,;14.08,.88,;13.75,-.63,;12.28,-1.1,;14.89,-1.67,;14.48,-3.16,;15.56,-4.26,;16.37,-1.2,;17.51,-2.23,;16.68,.3,;18.15,.79,;19.3,-.26,;19.13,-1.78,;20.54,-2.42,;21.57,-1.27,;23.11,-1.27,;23.88,.06,;23.11,1.39,;21.57,1.39,;20.81,.07,;15.55,1.35,;15.88,2.85,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123313 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123296 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123281 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123295 (5-[1-(1H-Indol-3-yl)-meth-(E)-ylidene]-2-thioxo-1-...) Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O |w:14.15| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123309 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123312 (1,3-Diethyl-2-thioxo-5-[5-(2-trifluoromethyl-pheny...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=O)\[#6](=[#6]\c2ccc(o2)-c2ccccc2C(F)(F)F)-[#6](=O)-[#7](-[#6]-[#6])-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123301 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123304 (3-[5-(1,3-Diethyl-4,6-dioxo-2-thioxo-tetrahydro-py...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/c2ccc(o2)-c2ccsc2-[#6](=O)-[#8]-[#6])-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123290 (1,3-Diethyl-5-(5-methyl-thiophen-2-ylmethylene)-2-...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(-[#6])s2)-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123311 (5-(5-Bromo-thiophen-2-ylmethylene)-1,3-diethyl-2-t...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2ccc(Br)s2)-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123300 (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 |(18.65,-7.89,;17.34,-7.08,;17.41,-5.54,;18.73,-4.74,;20.08,-5.48,;18.69,-3.2,;20,-2.41,;21.35,-3.16,;21.54,-4.67,;23.05,-4.97,;23.79,-3.62,;25.29,-3.27,;25.74,-1.8,;24.66,-.66,;23.17,-1.03,;22.74,-2.5,;25.11,.82,;26.6,1.18,;24.05,1.94,;17.34,-2.46,;17.32,-.92,;16.03,-3.25,;14.7,-2.43,;13.35,-3.18,;16.06,-4.79,;14.74,-5.58,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123282 (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 |(14.6,3.66,;15.96,4.39,;17.29,3.57,;17.31,2.03,;15.99,1.24,;18.67,1.28,;18.6,-.24,;19.91,-1.06,;19.98,2.09,;21.34,1.35,;19.95,3.62,;21.27,4.42,;22.62,3.68,;24,4.34,;25.05,3.22,;26.59,3.26,;27.39,1.95,;26.66,.6,;25.11,.56,;24.32,1.87,;22.81,2.15,;18.6,4.37,;18.57,5.93,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123292 (1,3-Diphenyl-2-thioxo-5-[5-(2-trifluoromethyl-phen...) Show SMILES FC(F)(F)c1ccccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123303 (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 |(14.6,.23,;15.01,1.72,;13.87,2.76,;12.4,2.29,;14.2,4.27,;13.1,5.37,;15.67,4.74,;15.99,6.24,;16.8,3.69,;18.27,4.18,;19.41,3.13,;19.25,1.61,;20.65,.97,;21.68,2.12,;23.23,2.12,;24,3.45,;23.23,4.79,;21.68,4.79,;20.93,3.46,;16.49,2.19,;17.63,1.16,)| 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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123306 (1,3-Diethyl-5-(3-methyl-thiophen-2-ylmethylene)-2-...) Show SMILES [#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]\c2sccc2-[#6])-[#6]-1=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123299 (3-[5-(4,6-Dioxo-1,3-diphenyl-2-thioxo-tetrahydro-p...) Show SMILES [#6]-[#8]-[#6](=O)-c1sccc1-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7](-[#6](=S)-[#7](-[#6]-2=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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair