Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM50237357'   

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 (Homo sapiens (Human))	BDBM50237357 (CHEMBL4060030) Show SMILES Nc1nccc(n1)N(Cc1ccccc1)c1ccccc1-c1cccc(c1)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	1.10E+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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM50237357 (CHEMBL4060030) Show SMILES Nc1nccc(n1)N(Cc1ccccc1)c1ccccc1-c1cccc(c1)-c1cnc(nc1)N1CCNCC1 Show InChI InChI=1S/C31H30N8/c32-30-34-14-13-29(37-30)39(22-23-7-2-1-3-8-23)28-12-5-4-11-27(28)25-10-6-9-24(19-25)26-20-35-31(36-21-26)38-17-15-33-16-18-38/h1-14,19-21,33H,15-18,22H2,(H2,32,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	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 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
					More data for this Ligand-Target Pair				3D Structure (crystal)