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BDBM50066223 (S)-1-[N-(2-Chloro-benzyl)-carbamimidoyl]-pyrrolidine-2-carboxylic acid [(S)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide::CHEMBL108990

SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(N)=NCc1ccccc1Cl

InChI Key: InChIKey=WZBZBOIJEFYIAT-SVBPBHIXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50066223   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50066223
PNG
((S)-1-[N-(2-Chloro-benzyl)-carbamimidoyl]-pyrrolid...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(N)=NCc1ccccc1Cl |w:29.32|
Show InChI InChI=1S/C30H34ClN5O2/c1-35(21-23-13-6-3-7-14-23)29(38)26(19-22-11-4-2-5-12-22)34-28(37)27-17-10-18-36(27)30(32)33-20-24-15-8-9-16-25(24)31/h2-9,11-16,26-27H,10,17-21H2,1H3,(H2,32,33)(H,34,37)/t26-,27-/m0/s1
PDB
MMDB

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PC cid
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PubMed
19n/an/an/an/an/an/an/an/a



Novartis Institute for Medical Sciences

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Tachykinin receptor 1 by measuring its ability to displace [3H]SP (0.6 nM) binding to membranes from Cos-7 cells tr...


J Med Chem 41: 3159-73 (1998)


Article DOI: 10.1021/jm970499g
BindingDB Entry DOI: 10.7270/Q2BZ66QJ
More data for this
Ligand-Target Pair