Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor ligand superfamily member 11' and Ligand = 'BDBM50373071'   

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 ligand superfamily member 11 (Homo sapiens)	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 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
					More data for this Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11 (Homo sapiens)	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 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
					More data for this Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11 (Homo sapiens)	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 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