Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50217086'   

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))	BDBM50217086 (CHEMBL102356) Show SMILES CC(=O)N1CCC2(CC1)C1C(CN2C(=O)COCc2ccccc2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C30H29F6N3O5/c1-18(40)37-9-7-28(8-10-37)25-23(15-39(28)24(41)17-44-16-19-5-3-2-4-6-19)26(42)38(27(25)43)14-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h2-6,11-13,23,25H,7-10,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells				Bioorg Med Chem Lett 12: 3073-6 (2002) BindingDB Entry DOI: 10.7270/Q23N25J3
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