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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 = 'BDBM50066234'   
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))
BDBM50066234
PNG
((S)-1-(2-Trifluoromethyl-benzylthiocarbamoyl)-pyrr...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=S)NCc1ccccc1C(F)(F)F
Show InChI InChI=1S/C31H33F3N4O2S/c1-37(21-23-13-6-3-7-14-23)29(40)26(19-22-11-4-2-5-12-22)36-28(39)27-17-10-18-38(27)30(41)35-20-24-15-8-9-16-25(24)31(32,33)34/h2-9,11-16,26-27H,10,17-21H2,1H3,(H,35,41)(H,36,39)/t26-,27-/m0/s1
PDB
MMDB

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PC cid
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Article
PubMed
27n/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