Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50364209'   

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))	BDBM50364209 (CHEMBL1951619) Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CCN(C[C@H]1c1ccccc1)C(C)=O |r| Show InChI InChI=1S/C24H24F6N2O2/c1-15(33)32-9-8-20(21(14-32)17-6-4-3-5-7-17)22(34)31(2)13-16-10-18(23(25,26)27)12-19(11-16)24(28,29)30/h3-7,10-12,20-21H,8-9,13-14H2,1-2H3/t20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from tachykinin NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 20: 962-77 (2012) Article DOI: 10.1016/j.bmc.2011.11.048 BindingDB Entry DOI: 10.7270/Q2NP24WG
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