BindingDB PrimarySearch

null

SMILES: CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12

InChI Key: InChIKey=JZNXLPPJRFFECJ-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50373071
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tumor necrosis factor ligand superfamily member 11 (Homo sapiens)	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human RANKL-induced osteoclastogenesis in RANKL cultured mouse bone marrow cells assessed as reduction in RANKL/M-CSF-induced TRAP acti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01316 BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
TBA					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D LLC Curated by ChEMBL					Assay Description Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR2 extracellular domain preincubated for 1...				J Med Chem 60: 3511-3517 (2017) Article DOI: 10.1021/acs.jmedchem.6b01836 BindingDB Entry DOI: 10.7270/Q24X5B23
Janssen R&D LLC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen R&D LLC Curated by ChEMBL					Assay Description Binding affinity to human TNF-alpha soluble domain assessed as decrease in complex formation with human TNFR1 extracellular domain preincubated for 1...				J Med Chem 60: 3511-3517 (2017) Article DOI: 10.1021/acs.jmedchem.6b01836 BindingDB Entry DOI: 10.7270/Q24X5B23
Janssen R&D LLC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of TNFalpha in HEK293T cells transfected with plasmid hRluc/TK/ luc2P/NF-kBRE/Hygro plasmid after 12 hrs by Dual-glo luciferase assay syst...				Eur J Med Chem 85: 119-26 (2014) Article DOI: 10.1016/j.ejmech.2014.07.091 BindingDB Entry DOI: 10.7270/Q2K9398F
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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
TBA					Assay Description Inhibition of TNFR1 binding to human TNFalpha expressed in Escherichia coli BL21 (DE3) incubated for 60 mins by ELISA				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127982 BindingDB Entry DOI: 10.7270/Q2X06BT5
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Salud Hospital Universitario La Paz - IdiPAZ Curated by ChEMBL					Assay Description Inhibition of TNFR1 (unknown origin)				Eur J Med Chem 93: 83-92 (2015) Article DOI: 10.1016/j.ejmech.2015.01.060 BindingDB Entry DOI: 10.7270/Q2RR20ZB
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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
Padmashri Vikhe Patil College of Arts Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	8.44E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % PEG3350 as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % PEG3350 as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	7.34E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % DMSO as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMSO as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	5.36E+3	n/a	n/a	n/a	6.5	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha in 10 mM citrate-phosphate at pH 6.5 by fluorescence assay				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor ligand superfamily member 11 (Homo sapiens)	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a
Shanghai Jiaotong University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to human RANKL measured after 1 hr by fluorescence assay				J Med Chem 62: 5370-5381 (2019) Article DOI: 10.1021/acs.jmedchem.8b02027 BindingDB Entry DOI: 10.7270/Q21R6TZ8
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	9.17E+4	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Binding affinity to recombinant TNFalpha (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 10 mins by MST assay				J Med Chem 63: 8146-8156 (2020) Article DOI: 10.1021/acs.jmedchem.0c00377 BindingDB Entry DOI: 10.7270/Q2JQ14MX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor ligand superfamily member 11 (Homo sapiens)	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GST-fused human RANKL extracellular domain (Lys159 to Asp317 residues) expressed in Escherichia coli BL21(DE3) pLysS by fluoresce...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01316 BindingDB Entry DOI: 10.7270/Q2PZ5DDQ
TBA					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	5.36E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % DMSO as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	6.18E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % PEG3350 as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % MeOH as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	9.77E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 5 % MeOH as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	1.18E+4	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 10 % MeOH as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Binding affinity to TNF				Nature 450: 1001-1009 (2007) Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	3.81	n/a	n/a	n/a	n/a	n/a
The Second People's Hospital of Fujian Provinc Curated by ChEMBL					Assay Description Binding affinity to TNF-alpha (unknown origin)				Eur J Med Chem 83: 294-306 (2014) Article DOI: 10.1016/j.ejmech.2014.06.037 BindingDB Entry DOI: 10.7270/Q2NG4S7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50373071 (CHEMBL255489) Show SMILES Show InChI	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	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a
The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human TNF-alpha by fluorescence assay in presence of 2.5 % DMF as solvent				ACS Med Chem Lett 4: 137-41 (2013) Article DOI: 10.1021/ml300380h BindingDB Entry DOI: 10.7270/Q2W66N4P
					More data for this Ligand-Target Pair				3D Structure (crystal)