Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM56191'   

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))	BDBM56191 (MLS000063267 | SMR000074865 | [1-(2,5-dimethylbenz...) Show SMILES Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 Show InChI InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tumor necrosis factor (Homo sapiens (Human))	BDBM56191 (MLS000063267 | SMR000074865 | [1-(2,5-dimethylbenz...) Show SMILES Cc1ccc(C)c(Cn2c(CO)nc3ccccc23)c1 Show InChI InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human TNF measured after 6 mins by surface plasmon resonance				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01608 BindingDB Entry DOI: 10.7270/Q25D8WHT
					More data for this Ligand-Target Pair				3D Structure (crystal)