Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50224552'   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50224552 (CHEMBL5291305) Show SMILES CC(COCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C)OCC(C)OCC(C)N(CC(O)COc1ccccc1CC=C)CC(O)COc1ccccc1CC=C Show InChI InChI=1S/C60H84N2O11/c1-9-21-49-25-13-17-29-57(49)70-41-53(63)33-61(34-54(64)42-71-58-30-18-14-26-50(58)22-10-2)45(5)37-67-39-47(7)69-40-48(8)68-38-46(6)62(35-55(65)43-72-59-31-19-15-27-51(59)23-11-3)36-56(66)44-73-60-32-20-16-28-52(60)24-12-4/h9-20,25-32,45-48,53-56,63-66H,1-4,21-24,33-44H2,5-8H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Inhibitory activity against Dihydrofolate reductase enzyme purified from Escherichia coli				J Agric Food Chem 53: 5549-53 (2005) Article DOI: 10.1021/jf050110v
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