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BDBM50030177 (R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-2-(4-amino-phenyl)-1-(benzyl-methyl-carbamoyl)-ethyl]-amide; hydrochloride::CHEMBL554413

SMILES: CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12

InChI Key: InChIKey=PNXKIFRBXAMPLJ-MPXLCVCVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50030177   
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)		BDBM50030177
PNG
((R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-py...)
Show SMILES CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccc(N)cc1)NC(=O)C1C[C@@H](O)CN1C(=O)c1cn(C)c2ccccc12
Show InChI InChI=1S/C32H35N5O4/c1-35-20-26(25-10-6-7-11-28(25)35)31(40)37-19-24(38)17-29(37)30(39)34-27(16-21-12-14-23(33)15-13-21)32(41)36(2)18-22-8-4-3-5-9-22/h3-15,20,24,27,29,38H,16-19,33H2,1-2H3,(H,34,39)/t24-,27-,29?/m1/s1
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity against substance P receptor using [3H]SP as radioligand in guinea pig lung membrane

J Med Chem 37: 2090-9 (1994)


BindingDB Entry DOI: 10.7270/Q23779BT
More data for this
Ligand-Target Pair