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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 = 'BDBM50410798'   
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))
BDBM50410798
PNG
(CHEMBL203113)
Show SMILES COc1ccccc1CNCCNC(=O)N1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C33H33F6N5O3/c1-47-29-9-5-2-6-21(29)18-40-10-11-41-31(46)43-12-13-44(26(20-43)16-23-19-42-28-8-4-3-7-27(23)28)30(45)22-14-24(32(34,35)36)17-25(15-22)33(37,38)39/h2-9,14-15,17,19,26,40,42H,10-13,16,18,20H2,1H3,(H,41,46)/t26-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.26n/an/an/an/an/a



Solvay Pharma

Curated by ChEMBL


Assay Description
Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1045-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.077
BindingDB Entry DOI: 10.7270/Q2XD12W0
More data for this
Ligand-Target Pair