Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50186521'   

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))	BDBM50186521 (CHEMBL210591 | trans-3-(((R)-1-(3,5-bis(trifluorom...) Show SMILES C[C@@H](OC[C@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(-.21,1.61,;-.21,.07,;1.13,-.69,;2.46,.08,;3.8,-.68,;2.73,-1.79,;3.83,-2.86,;5.16,-3.62,;4.9,-1.75,;2.47,-3.59,;1.16,-2.77,;2.41,-5.12,;5.13,.09,;6.46,-.67,;7.79,.1,;7.78,1.64,;6.44,2.41,;5.11,1.63,;-1.54,-.7,;-1.53,-2.25,;-2.87,-3.02,;-4.2,-2.25,;-4.2,-.71,;-2.87,.06,;-5.54,.06,;-4.78,1.4,;-6.32,-1.27,;-6.88,.83,;-2.87,-4.56,;-1.34,-4.56,;-4.42,-4.56,;-2.86,-6.1,)| Show InChI InChI=1S/C22H22F6N2O2/c1-13(14-7-16(21(23,24)25)9-17(8-14)22(26,27)28)32-12-19(15-5-3-2-4-6-15)10-20(30,11-19)18(29)31/h2-9,13H,10-12,30H2,1H3,(H2,29,31)/t13-,19-,20+/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	1	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
					More data for this Ligand-Target Pair