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BDBM50050669 CHEMBL296210::{(S)-1-[1-(7-Hydroxy-heptylcarbamoyl)-1-methyl-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO

InChI Key: InChIKey=XFGBWRHTRJIBMS-PAMMARIWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050669   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuromedin-K receptor


(Homo sapiens (Human))
BDBM50050669
PNG
(CHEMBL296210 | {(S)-1-[1-(7-Hydroxy-heptylcarbamoy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(Cc1ccccc1)C(=O)NCCCCCCCO
Show InChI InChI=1S/C31H45N3O5/c1-30(2,3)39-29(38)33-26(22-24-16-10-8-11-17-24)27(36)34-31(4,23-25-18-12-9-13-19-25)28(37)32-20-14-6-5-7-15-21-35/h8-13,16-19,26,35H,5-7,14-15,20-23H2,1-4H3,(H,32,37)(H,33,38)(H,34,36)/t26-,31?/m0/s1
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PC sid
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Similars

Article
PubMed
n/an/a 111n/an/an/an/an/an/a



Cambridge University Forvie Site

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [125I]-[MePhe7]-NKB binding to cloned human Tachykinin receptor 3 in CHO cell lines


J Med Chem 39: 1664-75 (1996)


Article DOI: 10.1021/jm950892r
BindingDB Entry DOI: 10.7270/Q2CJ8F4R
More data for this
Ligand-Target Pair