Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50286413'   

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))	BDBM50286413 ((3S,5aS,10bS,11aS)-3-Benzyl-10b-(2-hydroxy-5-nitro...) Show SMILES Oc1ccc(cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O Show InChI InChI=1S/C27H24N4O5/c32-23-11-10-18(31(35)36)13-17(23)14-27-15-22-24(33)28-21(12-16-6-2-1-3-7-16)25(34)30(22)26(27)29-20-9-5-4-8-19(20)27/h1-11,13,21-22,26,29,32H,12,14-15H2,(H,28,33)/t21-,22-,26-,27-/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	9.80E+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