Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'pandit' and Initial = 'ss'   

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
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human MNC suspension after 20 hrs by radioimmunoassay				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454030 (CHEMBL4214663) Show SMILES COc1cccc(CNS(=O)(=O)c2cnc3ccc(nn23)-c2cccnc2)c1 Show InChI InChI=1S/C19H17N5O3S/c1-27-16-6-2-4-14(10-16)11-22-28(25,26)19-13-21-18-8-7-17(23-24(18)19)15-5-3-9-20-12-15/h2-10,12-13,22H,11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453983 (CHEMBL4215614) Show SMILES COc1ccc(cc1OC)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C26H25N5O4S/c1-34-22-10-8-19(16-23(22)35-2)21-9-11-24-28-17-25(31(24)29-21)36(32,33)30-14-12-26(18-27,13-15-30)20-6-4-3-5-7-20/h3-11,16-17H,12-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251835 (CHEMBL4092194) Show SMILES CC1CCC(C1)NC1CCc2c(C1)[nH]c1ccc(C)cc21 Show InChI InChI=1S/C19H26N2/c1-12-3-5-14(9-12)20-15-6-7-16-17-10-13(2)4-8-18(17)21-19(16)11-15/h4,8,10,12,14-15,20-21H,3,5-7,9,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251835 (CHEMBL4092194) Show SMILES CC1CCC(C1)NC1CCc2c(C1)[nH]c1ccc(C)cc21 Show InChI InChI=1S/C19H26N2/c1-12-3-5-14(9-12)20-15-6-7-16-17-10-13(2)4-8-18(17)21-19(16)11-15/h4,8,10,12,14-15,20-21H,3,5-7,9,11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251836 (CHEMBL4070561) Show SMILES Cl.Cc1ccc2[nH]c3CC(CCc3c2c1)NCc1ccccc1 Show InChI InChI=1S/C20H22N2.ClH/c1-14-7-10-19-18(11-14)17-9-8-16(12-20(17)22-19)21-13-15-5-3-2-4-6-15;/h2-7,10-11,16,21-22H,8-9,12-13H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251866 (CHEMBL4070208) Show SMILES Cl.Cc1ccc(CNC2CCc3c(C2)[nH]c2ccc(C)cc32)cc1 Show InChI InChI=1S/C21H24N2.ClH/c1-14-3-6-16(7-4-14)13-22-17-8-9-18-19-11-15(2)5-10-20(19)23-21(18)12-17;/h3-7,10-11,17,22-23H,8-9,12-13H2,1-2H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251841 (CHEMBL4068198) Show SMILES Cc1ccc(CNC2CCc3c(C2)n(C)c2ccccc32)cc1 Show InChI InChI=1S/C21H24N2/c1-15-7-9-16(10-8-15)14-22-17-11-12-19-18-5-3-4-6-20(18)23(2)21(19)13-17/h3-10,17,22H,11-14H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454032 (CHEMBL4209925) Show SMILES COc1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C18H20N4O4S/c1-25-14-6-4-13(5-7-14)16-8-9-17-19-12-18(22(17)21-16)27(23,24)20-11-15-3-2-10-26-15/h4-9,12,15,20H,2-3,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453997 (CHEMBL4204861) Show SMILES O=S(=O)(NCC1CCCO1)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C16H17N5O3S/c22-25(23,19-10-13-4-2-8-24-13)16-11-18-15-6-5-14(20-21(15)16)12-3-1-7-17-9-12/h1,3,5-7,9,11,13,19H,2,4,8,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453998 (CHEMBL4206211) Show SMILES Fc1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C16H16FN5O3S/c17-12-6-11(7-18-8-12)14-3-4-15-19-10-16(22(15)21-14)26(23,24)20-9-13-2-1-5-25-13/h3-4,6-8,10,13,20H,1-2,5,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454026 (CHEMBL4216705) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1ccc2ncc(n2n1)S(N)(=O)=O Show InChI InChI=1S/C12H9F3N6O2S/c13-12(14,15)7-3-6(4-19-11(7)16)8-1-2-9-18-5-10(21(9)20-8)24(17,22)23/h1-5H,(H2,16,19)(H2,17,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251850 (CHEMBL4077816) Show SMILES Cc1ccc(CNC2CCc3c(C2)[nH]c2ccccc32)cc1 Show InChI InChI=1S/C20H22N2/c1-14-6-8-15(9-7-14)13-21-16-10-11-18-17-4-2-3-5-19(17)22-20(18)12-16/h2-9,16,21-22H,10-13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251837 (CHEMBL4068744) Show SMILES CC1CCC(C1)NC1CCCc2c1[nH]c1ccc(cc21)[N+]([O-])=O Show InChI InChI=1S/C18H23N3O2/c1-11-5-6-12(9-11)19-17-4-2-3-14-15-10-13(21(22)23)7-8-16(15)20-18(14)17/h7-8,10-12,17,19-20H,2-6,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453995 (CHEMBL4212779) Show SMILES COc1cccc(CNS(=O)(=O)c2cnc3ccc(nn23)-c2cncc(F)c2)c1 Show InChI InChI=1S/C19H16FN5O3S/c1-28-16-4-2-3-13(7-16)9-23-29(26,27)19-12-22-18-6-5-17(24-25(18)19)14-8-15(20)11-21-10-14/h2-8,10-12,23H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454033 (CHEMBL4211218) Show SMILES COc1ccc(cn1)-c1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C17H19N5O4S/c1-25-16-7-4-12(9-19-16)14-5-6-15-18-11-17(22(15)21-14)27(23,24)20-10-13-3-2-8-26-13/h4-7,9,11,13,20H,2-3,8,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251834 (CHEMBL4061653) Show SMILES C(NC1CCc2c(C1)[nH]c1ccccc21)c1ccccc1 Show InChI InChI=1S/C19H20N2/c1-2-6-14(7-3-1)13-20-15-10-11-17-16-8-4-5-9-18(16)21-19(17)12-15/h1-9,15,20-21H,10-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453993 (CHEMBL4206607) Show SMILES O=S(=O)(N1CCC(CC1)(C#N)c1ccccc1)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C23H20N6O2S/c24-17-23(19-6-2-1-3-7-19)10-13-28(14-11-23)32(30,31)22-16-26-21-9-8-20(27-29(21)22)18-5-4-12-25-15-18/h1-9,12,15-16H,10-11,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453988 (CHEMBL4202770) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C25H23N5O4S2/c1-35(31,32)21-9-7-19(8-10-21)22-11-12-23-27-17-24(30(23)28-22)36(33,34)29-15-13-25(18-26,14-16-29)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454006 (CHEMBL4213788) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1cncc(c1)C(F)(F)F Show InChI InChI=1S/C18H19F3N6O2S/c1-2-25-5-7-26(8-6-25)30(28,29)17-12-23-16-4-3-15(24-27(16)17)13-9-14(11-22-10-13)18(19,20)21/h3-4,9-12H,2,5-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251779 (CHEMBL4076325) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C18H17FN2O2S/c19-12-8-10-13(11-9-12)24(22,23)21-17-7-3-5-15-14-4-1-2-6-16(14)20-18(15)17/h1-2,4,6,8-11,17,20-21H,3,5,7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251809 (CHEMBL4075949) Show SMILES Fc1ccc(cc1)S(=O)(=O)NC1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H17FN2O2S/c19-12-5-8-14(9-6-12)24(22,23)21-13-7-10-16-15-3-1-2-4-17(15)20-18(16)11-13/h1-6,8-9,13,20-21H,7,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251767 (CHEMBL4092469) Show SMILES C1CCC(C1)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251781 (CHEMBL4075814) Show SMILES C1CCC(C1)NC1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C17H22N2/c1-2-6-12(5-1)18-13-9-10-15-14-7-3-4-8-16(14)19-17(15)11-13/h3-4,7-8,12-13,18-19H,1-2,5-6,9-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251767 (CHEMBL4092469) Show SMILES C1CCC(C1)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C17H22N2/c1-2-7-12(6-1)18-16-11-5-9-14-13-8-3-4-10-15(13)19-17(14)16/h3-4,8,10,12,16,18-19H,1-2,5-7,9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453991 (CHEMBL4211883) Show SMILES Nc1ncc(cc1C(F)(F)F)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H19F3N8O2S/c22-21(23,24)15-11-14(12-28-20(15)25)16-4-5-18-27-13-19(32(18)29-16)35(33,34)31-9-7-30(8-10-31)17-3-1-2-6-26-17/h1-6,11-13H,7-10H2,(H2,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453990 (CHEMBL4209097) Show SMILES FC(F)(F)c1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C21H18F3N7O2S/c22-21(23,24)16-11-15(12-25-13-16)17-4-5-19-27-14-20(31(19)28-17)34(32,33)30-9-7-29(8-10-30)18-3-1-2-6-26-18/h1-6,11-14H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251843 (CHEMBL4064772) Show SMILES C1CCC(CC1)NC1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H24N2/c1-2-6-13(7-3-1)19-14-10-11-16-15-8-4-5-9-17(15)20-18(16)12-14/h4-5,8-9,13-14,19-20H,1-3,6-7,10-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454000 (CHEMBL4204753) Show SMILES O=S(=O)(N1CCN(CC1)c1ccccn1)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C20H19N7O2S/c28-30(29,26-12-10-25(11-13-26)18-5-1-2-9-22-18)20-15-23-19-7-6-17(24-27(19)20)16-4-3-8-21-14-16/h1-9,14-15H,10-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453992 (CHEMBL4216524) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C22H22N6O4S2/c1-33(29,30)18-7-5-17(6-8-18)19-9-10-21-24-16-22(28(21)25-19)34(31,32)27-14-12-26(13-15-27)20-4-2-3-11-23-20/h2-11,16H,12-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454028 (CHEMBL4216431) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-20(8-10-21)22-11-12-23-25-17-24(29(23)26-22)35(32,33)28-15-13-27(14-16-28)18-19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251761 (CHEMBL4071674) Show SMILES Cl.C1CCC(CC1)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C18H24N2.ClH/c1-2-7-13(8-3-1)19-17-12-6-10-15-14-9-4-5-11-16(14)20-18(15)17;/h4-5,9,11,13,17,19-20H,1-3,6-8,10,12H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251768 (CHEMBL4065808) Show SMILES CC1CCC(C1)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C18H24N2/c1-12-9-10-13(11-12)19-17-8-4-6-15-14-5-2-3-7-16(14)20-18(15)17/h2-3,5,7,12-13,17,19-20H,4,6,8-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454004 (CHEMBL4213498) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H23N5O4S2/c1-3-22-10-12-23(13-11-22)30(27,28)19-14-20-18-9-8-17(21-24(18)19)15-4-6-16(7-5-15)29(2,25)26/h4-9,14H,3,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454008 (CHEMBL4217242) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C17H20N6O2S/c1-2-21-8-10-22(11-9-21)26(24,25)17-13-19-16-6-5-15(20-23(16)17)14-4-3-7-18-12-14/h3-7,12-13H,2,8-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251768 (CHEMBL4065808) Show SMILES CC1CCC(C1)NC1CCCc2c1[nH]c1ccccc21 Show InChI InChI=1S/C18H24N2/c1-12-9-10-13(11-12)19-17-8-4-6-15-14-5-2-3-7-16(14)20-18(15)17/h2-3,5,7,12-13,17,19-20H,4,6,8-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Mus musculus)	BDBM50454023 (CHEMBL4215786) Show SMILES CCCCn1cnc(CC(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1Cl Show InChI InChI=1S/C27H23ClN2O6/c1-2-3-12-30-14-29-18(25(30)28)13-17(21-23(31)15-8-4-6-10-19(15)35-26(21)33)22-24(32)16-9-5-7-11-20(16)36-27(22)34/h4-11,14,17,31-32H,2-3,12-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of mouse recombinant TNF-alpha binding to antibody preincubated for 30 mins followed by antibody addition measured after 2 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Retinoblastoma-associated protein (Homo sapiens (Human))	BDBM50251806 (CHEMBL4088842) Show SMILES Cl.CC1CCC(C1)NC1CCc2c(C1)[nH]c1ccccc21 Show InChI InChI=1S/C18H24N2.ClH/c1-12-6-7-13(10-12)19-14-8-9-16-15-4-2-3-5-17(15)20-18(16)11-14;/h2-5,12-14,19-20H,6-11H2,1H3;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of retinoblastoma protein phosphorylation in human MDA-MB-231 cells after 16 hrs by Hoechst 33342 staining based fluorescence assay				Eur J Med Chem 134: 366-378 (2017) Article DOI: 10.1016/j.ejmech.2017.02.062 BindingDB Entry DOI: 10.7270/Q2MW2KKK
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453986 (CHEMBL4212953) Show SMILES O=S(=O)(N1CCN(Cc2ccccc2)CC1)c1cnc2ccc(nn12)-c1cccnc1 Show InChI InChI=1S/C22H22N6O2S/c29-31(30,27-13-11-26(12-14-27)17-18-5-2-1-3-6-18)22-16-24-21-9-8-20(25-28(21)22)19-7-4-10-23-15-19/h1-10,15-16H,11-14,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454005 (CHEMBL4208563) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1ccc(OC)cc1 Show InChI InChI=1S/C19H23N5O3S/c1-3-22-10-12-23(13-11-22)28(25,26)19-14-20-18-9-8-17(21-24(18)19)15-4-6-16(27-2)7-5-15/h4-9,14H,3,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454025 (CHEMBL4208862) Show SMILES CCN1CCN(CC1)S(=O)(=O)c1cnc2ccc(nn12)-c1ccc(OC)nc1 Show InChI InChI=1S/C18H22N6O3S/c1-3-22-8-10-23(11-9-22)28(25,26)18-13-19-16-6-5-15(21-24(16)18)14-4-7-17(27-2)20-12-14/h4-7,12-13H,3,8-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453994 (CHEMBL4211594) Show SMILES FC(F)(F)c1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C24H19F3N6O2S/c25-24(26,27)19-12-17(13-29-14-19)20-6-7-21-30-15-22(33(21)31-20)36(34,35)32-10-8-23(16-28,9-11-32)18-4-2-1-3-5-18/h1-7,12-15H,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12 Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of TNF-alpha (unknown origin) binding to TNFR1 by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453987 (CHEMBL4203548) Show SMILES Clc1ccc2ncc(n2n1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1 Show InChI InChI=1S/C18H16ClN5O2S/c19-15-6-7-16-21-12-17(24(16)22-15)27(25,26)23-10-8-18(13-20,9-11-23)14-4-2-1-3-5-14/h1-7,12H,8-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453989 (CHEMBL4204234) Show SMILES Fc1cncc(c1)-c1ccc2ncc(n2n1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C20H18FN7O2S/c21-16-11-15(12-22-13-16)17-4-5-19-24-14-20(28(19)25-17)31(29,30)27-9-7-26(8-10-27)18-3-1-2-6-23-18/h1-6,11-14H,7-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453985 (CHEMBL4208400) Show SMILES COc1cccc(CNS(=O)(=O)c2cnc3ccc(nn23)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O5S2/c1-30-17-5-3-4-15(12-17)13-23-32(28,29)21-14-22-20-11-10-19(24-25(20)21)16-6-8-18(9-7-16)31(2,26)27/h3-12,14,23H,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50454022 (CHEMBL4206575) Show SMILES NS(=O)(=O)c1cnc2ccc(Cl)nn12 Show InChI InChI=1S/C6H5ClN4O2S/c7-4-1-2-5-9-3-6(11(5)10-4)14(8,12)13/h1-3H,(H2,8,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50453984 (CHEMBL4212933) Show SMILES Clc1ccc2ncc(n2n1)S(=O)(=O)NCC1CCCO1 Show InChI InChI=1S/C11H13ClN4O3S/c12-9-3-4-10-13-7-11(16(10)15-9)20(17,18)14-6-8-2-1-5-19-8/h3-4,7-8,14H,1-2,5-6H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					Assay Description Inhibition of LPS-induced TNF-alpha production in human PBMC preincubated for 30 mins followed by LPS addition measured after 5 hrs by ELISA				Bioorg Med Chem Lett 28: 24-30 (2018) Article DOI: 10.1016/j.bmcl.2017.11.026 BindingDB Entry DOI: 10.7270/Q2TQ6441
					More data for this Ligand-Target Pair

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