Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50217087'   

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))	BDBM50217087 (CHEMBL319653) Show SMILES CN1C(=O)C2CN(C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H25F6N3O5S/c1-37-26(41)23-16-39(45(43,44)22-7-6-17-4-2-3-5-18(17)14-22)28(24(23)27(37)42)8-10-38(11-9-28)25(40)19-12-20(29(31,32)33)15-21(13-19)30(34,35)36/h2-7,12-15,23-24H,8-11,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	39	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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