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BDBM50002531 CHEMBL62349::benzyl 3-(1H-3-indolyl)-2-[1-[2-(1H-3-indolyl)-1-benzyloxycarboxamido-(1R)-ethylcarboxamido]-2-phenyl-(1S)-ethylcarboxamido]-(2R)-propanoate

SMILES: O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)OCc1ccccc1

InChI Key: InChIKey=OQNVYYULCJAYNB-FEWNNGCESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50002531   
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)		BDBM50002531
PNG
(CHEMBL62349 | benzyl 3-(1H-3-indolyl)-2-[1-[2-(1H-...)
Show SMILES O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C46H43N5O6/c52-43(50-42(45(54)56-29-32-16-6-2-7-17-32)26-35-28-48-39-23-13-11-21-37(35)39)40(24-31-14-4-1-5-15-31)49-44(53)41(25-34-27-47-38-22-12-10-20-36(34)38)51-46(55)57-30-33-18-8-3-9-19-33/h1-23,27-28,40-42,47-48H,24-26,29-30H2,(H,49,53)(H,50,52)(H,51,55)/t40-,41+,42+/m0/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.00E+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)


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