Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM376080'   

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))	BDBM376080 (5-({[2-fluoro-5-(1-methyl-1H- pyrazol-3-yl)-4- (tr...) Show SMILES Cc1cc([nH]n1)-n1nc(cc1NC(=O)c1cc(-c2ccn(C)n2)c(cc1F)C(F)(F)F)C(=O)NCc1cccnc1 Show InChI InChI=1S/C26H21F4N9O2/c1-14-8-23(35-34-14)39-22(11-21(37-39)25(41)32-13-15-4-3-6-31-12-15)33-24(40)17-9-16(20-5-7-38(2)36-20)18(10-19(17)27)26(28,29)30/h3-12H,13H2,1-2H3,(H,32,41)(H,33,40)(H,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur					Assay Description In this assay, U2OS cells express the human TrkA receptor as a fusion with the weakly complementing fragment of B-galactosidase, which DiscoverX cal...				J Med Chem 51: 3077-80 (2008) BindingDB Entry DOI: 10.7270/Q2WQ0629
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