Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50186522'   

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))	BDBM50186522 (CHEMBL379072 | trans-N-{3-[(R)-1-(3,5-bis-trifluor...) Show SMILES C[C@@H](OC[C@]1(C[C@@H](C1)NC(C)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.8,wD:4.3,(.79,-3.02,;.8,-4.56,;2.13,-5.33,;3.46,-4.55,;4.8,-5.32,;3.73,-6.43,;4.84,-7.49,;5.91,-6.38,;4.88,-9.03,;3.56,-9.83,;3.59,-11.37,;2.21,-9.09,;6.13,-4.54,;7.46,-5.31,;8.79,-4.54,;8.78,-2.99,;7.44,-2.23,;6.11,-3.01,;-.54,-5.34,;-1.87,-4.57,;-3.2,-5.34,;-3.2,-6.89,;-1.87,-7.66,;-.53,-6.89,;-1.87,-9.2,;-3.41,-9.19,;-.33,-9.19,;-1.85,-10.74,;-4.53,-4.57,;-3.77,-3.24,;-5.31,-5.9,;-5.87,-3.8,)| Show InChI InChI=1S/C23H23F6NO2/c1-14(16-8-18(22(24,25)26)10-19(9-16)23(27,28)29)32-13-21(17-6-4-3-5-7-17)11-20(12-21)30-15(2)31/h3-10,14,20H,11-13H2,1-2H3,(H,30,31)/t14-,20-,21+/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	0.100	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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