Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50502955'   

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))	BDBM50502955 (CHEMBL4545212) Show SMILES Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1 Show InChI InChI=1S/C20H18N6O2S2/c1-12-3-6-14(7-4-12)22-18(28)23-19-24-25-20(30-19)29-11-15-9-17(27)26-10-13(2)5-8-16(26)21-15/h3-10H,11H2,1-2H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Zoetis Inc Curated by ChEMBL					Assay Description Inhibition of His-tagged recombinant human ATP-activated TRKA kinase domain (441 to 796 residues) expressed in baculovirus expression system preincub...				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126680 BindingDB Entry DOI: 10.7270/Q2280BVB
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50502955 (CHEMBL4545212) Show SMILES Cc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(C)ccc4n3)s2)cc1 Show InChI InChI=1S/C20H18N6O2S2/c1-12-3-6-14(7-4-12)22-18(28)23-19-24-25-20(30-19)29-11-15-9-17(27)26-10-13(2)5-8-16(26)21-15/h3-10H,11H2,1-2H3,(H2,22,23,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zoetis Inc Curated by ChEMBL					Assay Description Inhibition of human full length TRKA expressed in CHO cells assessed as decrease in NGF-induced Ca2+ flux by Calcium 4 dye-based FLIPR TETRA assay				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126680 BindingDB Entry DOI: 10.7270/Q2280BVB
					More data for this Ligand-Target Pair