Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50286417'   

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))	BDBM50286417 ((3S,5aS,10bS,11aS)-3-Benzyl-10b-(2-methoxy-5-nitro...) Show SMILES COc1ccc(cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C28H26N4O5/c1-37-24-12-11-19(32(35)36)14-18(24)15-28-16-23-25(33)29-22(13-17-7-3-2-4-8-17)26(34)31(23)27(28)30-21-10-6-5-9-20(21)28/h2-12,14,22-23,27,30H,13,15-16H2,1H3,(H,29,33)/t22-,23-,27-,28-/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	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonistic activity against Tachykinin receptor 1				Bioorg Med Chem Lett 5: 377-380 (1995) Article DOI: 10.1016/0960-894X(95)00039-V BindingDB Entry DOI: 10.7270/Q29023R8
					More data for this Ligand-Target Pair