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BDBM50002572 2-[1-[1-amino-2-phenyl-(1S)-ethylcarboxamido]-2-(1H-3-indolyl)-(1R)-ethylcarboxamido]-3-(1H-3-indolyl)-(2R)-propanoic acid; hydrochloride::CHEMBL558620

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=MJOJSHOTYWABPR-HNPKZYAISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002572   
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


(GUINEA PIG)
BDBM50002572
PNG
(2-[1-[1-amino-2-phenyl-(1S)-ethylcarboxamido]-2-(1...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C31H31N5O4/c32-24(14-19-8-2-1-3-9-19)29(37)35-27(15-20-17-33-25-12-6-4-10-22(20)25)30(38)36-28(31(39)40)16-21-18-34-26-13-7-5-11-23(21)26/h1-13,17-18,24,27-28,33-34H,14-16,32H2,(H,35,37)(H,36,38)(H,39,40)/t24-,27+,28+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of specific binding of [3H]SP to tachykinin receptor 1 from the isolated guinea pig tracheal strips


J Med Chem 35: 2015-25 (1992)


Article DOI: 10.1021/jm00089a011
BindingDB Entry DOI: 10.7270/Q2WS8TVS
More data for this
Ligand-Target Pair