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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 = 'BDBM50066240'   
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))		BDBM50066240
PNG
((S)-1-(3,5-Bis-trifluoromethyl-benzylthiocarbamoyl...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H32F6N4O2S/c1-41(20-22-11-6-3-7-12-22)29(44)26(17-21-9-4-2-5-10-21)40-28(43)27-13-8-14-42(27)30(45)39-19-23-15-24(31(33,34)35)18-25(16-23)32(36,37)38/h2-7,9-12,15-16,18,26-27H,8,13-14,17,19-20H2,1H3,(H,39,45)(H,40,43)/t26-,27-/m0/s1
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Similars
Article
PubMed
 79n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...

J Med Chem 41: 3159-73 (1998)


Article DOI: 10.1021/jm970499g
BindingDB Entry DOI: 10.7270/Q2BZ66QJ
More data for this
Ligand-Target Pair