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BDBM50436552 CHEMBL2397489

SMILES: N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([C@@H]1C(N)=O)c1ccccc1

InChI Key: InChIKey=MDHXNDICWFLLQE-FGTMMUONSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436552   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50436552
PNG
(CHEMBL2397489)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H]([C@@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17+,18-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
93n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]SP1-7 from substance P receptor (1 to 7 amino acids) binding site in Sprague-Dawley rat spinal cord membranes after 60 mins by li...


J Med Chem 56: 4953-65 (2013)


Article DOI: 10.1021/jm400209h
BindingDB Entry DOI: 10.7270/Q2K075PK
More data for this
Ligand-Target Pair