Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50286220'   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50286220 (2-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2...) Show SMILES CN(C)C(=O)CN1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccccc1 Show InChI InChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cells				Bioorg Med Chem Lett 5: 209-212 (1995) Article DOI: 10.1016/0960-894X(95)00009-I BindingDB Entry DOI: 10.7270/Q2ZP463J
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