Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50217092'   

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))	BDBM50217092 (CHEMBL102932) Show SMILES CC(C)(C)C(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C30H29F6N3O4/c1-27(2,3)26(43)37-11-9-28(10-12-37)22-21(24(41)39(25(22)42)20-7-5-4-6-8-20)16-38(28)23(40)17-13-18(29(31,32)33)15-19(14-17)30(34,35)36/h4-8,13-15,21-22H,9-12,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	302	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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