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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 = 'BDBM50428758'   
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))
BDBM50428758
PNG
(CHEMBL2333605)
Show SMILES FC(F)(F)c1cc(COCC2(CCNCC2)c2ccccc2)nc(c1)C1CC1
Show InChI InChI=1S/C22H25F3N2O/c23-22(24,25)18-12-19(27-20(13-18)16-6-7-16)14-28-15-21(8-10-26-11-9-21)17-4-2-1-3-5-17/h1-5,12-13,16,26H,6-11,14-15H2
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I] Substance P from human NK1 receptor expressed in human U373 cell membranes after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 23: 407-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.094
BindingDB Entry DOI: 10.7270/Q2S46TBT
More data for this
Ligand-Target Pair