Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50224528'   

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))	BDBM50224528 (CHEMBL5275171) Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C42H64N2O12/c1-30(43-20-34(45)27-54-40-14-8-37(48-5)9-15-40)23-51-25-32(3)53-26-33(4)52-24-31(2)44(21-35(46)28-55-41-16-10-38(49-6)11-17-41)22-36(47)29-56-42-18-12-39(50-7)13-19-42/h8-19,30-36,43,45-47H,20-29H2,1-7H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Kinki University Curated by ChEMBL					Assay Description Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats				J Agric Food Chem 53: 5549-53 (2005) Article DOI: 10.1021/jf050110v
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