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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Substance-P receptor' and Ligand = 'BDBM50218213'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Substance-P receptor


(Homo sapiens (Human))		BDBM50218213
PNG
(1-((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)pheny...)
Show SMILES C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H20F7NO2/c1-12(15-7-16(21(24,25)26)9-17(8-15)22(27,28)29)32-20-11-30(13(2)31)10-19(20)14-3-5-18(23)6-4-14/h3-9,12,19-20H,10-11H2,1-2H3/t12-,19+,20-/m1/s1
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Similars
Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Merck & Co. Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SP from human NK1 receptor expressed in CHO cells

Bioorg Med Chem Lett 17: 5191-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.085
BindingDB Entry DOI: 10.7270/Q2GT5MW7
More data for this
Ligand-Target Pair