Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50282930'   

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))	BDBM50282930 (Benzyl-[1-(3,5-dimethyl-benzyloxymethyl)-2,2-diphe...) Show SMILES Cc1cc(C)cc(COCC(NCc2ccccc2)C(c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C31H33NO/c1-24-18-25(2)20-27(19-24)22-33-23-30(32-21-26-12-6-3-7-13-26)31(28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-20,30-32H,21-23H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound towards human Tachykinin receptor 1 expressed in CHO cells by the displacement of [125 I] substance P				Bioorg Med Chem Lett 4: 1903-1908 (1994) Article DOI: 10.1016/S0960-894X(01)80531-X BindingDB Entry DOI: 10.7270/Q2NK3DZ1
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