Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50186529'   

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))	BDBM50186529 (CHEMBL211888 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N(C)C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(10.5,-8.16,;10.47,-9.7,;11.78,-10.5,;13.13,-9.76,;14.45,-10.56,;13.35,-11.64,;14.43,-12.73,;15.74,-13.53,;15.53,-11.65,;13.12,-13.54,;13.16,-15.08,;11.76,-12.81,;10.45,-13.62,;11.72,-11.27,;15.8,-9.81,;17.11,-10.61,;18.46,-9.87,;18.49,-8.33,;17.17,-7.53,;15.82,-8.28,;9.12,-10.44,;9.09,-11.99,;7.73,-12.73,;6.41,-11.93,;6.45,-10.39,;7.8,-9.65,;5.14,-9.58,;5.93,-8.26,;4.33,-10.89,;3.82,-8.78,;7.69,-14.27,;9.22,-14.31,;6.14,-14.23,;7.67,-15.81,)| Show InChI InChI=1S/C24H26F6N2O2/c1-15(16-9-18(23(25,26)27)11-19(10-16)24(28,29)30)34-14-21(17-7-5-4-6-8-17)12-22(31,13-21)20(33)32(2)3/h4-11,15H,12-14,31H2,1-3H3/t15-,21-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]Sar-Met substance P from human recombinant NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 3859-63 (2006) Article DOI: 10.1016/j.bmcl.2006.04.031 BindingDB Entry DOI: 10.7270/Q2QV3M44
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