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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 = 'BDBM50428772'   
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))
BDBM50428772
PNG
(CHEMBL2333625)
Show SMILES CN1CCC(COCc2cc(cc(n2)N2CCC3CC23)C(F)(F)F)(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H29F4N3O/c1-31-10-7-24(8-11-31,18-2-4-20(26)5-3-18)16-33-15-21-13-19(25(27,28)29)14-23(30-21)32-9-6-17-12-22(17)32/h2-5,13-14,17,22H,6-12,15-16H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90n/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