Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50284273'   

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))	BDBM50284273 ((2S,3S)-2-Benzhydryl-1-benzyl-3-(2-methoxy-benzyla...) Show SMILES COc1ccccc1CN[C@H]1C2CC[N+](Cc3ccccc3)(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,24.28,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;2.57,-4.32,;2.57,-5.86,;3.88,-6.63,;3.5,-8.12,;2.01,-8.52,;1.63,-10.01,;.15,-10.41,;-.96,-9.32,;-.56,-7.82,;.92,-7.43,;4.65,-5.3,;3.16,-4.88,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C35H39N2O/c1-38-32-20-12-11-19-31(32)25-36-34-30-21-23-37(24-22-30,26-27-13-5-2-6-14-27)35(34)33(28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-20,30,33-36H,21-26H2,1H3/q+1/t30?,34-,35-,37?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	332	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cells				Bioorg Med Chem Lett 4: 1153-1156 (1994) Article DOI: 10.1016/S0960-894X(01)80246-8 BindingDB Entry DOI: 10.7270/Q2VQ32N3
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