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BDBM50037565 (S)-2-({(S)-1-[(S)-2-((S)-2-Amino-3-phenyl-propionylamino)-4-carbamoyl-butyryl]-pyrrolidine-2-carbonyl}-amino)-pentanedioic acid 5-amide 1-{[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}::CHEMBL331606

SMILES: N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=CTGJSFUSBYTRFF-WPMUBMLPSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037565   
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
NPFF2


(RAT)		BDBM50037565
PNG
((S)-2-({(S)-1-[(S)-2-((S)-2-Amino-3-phenyl-propion...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C39H56N12O8/c40-25(21-23-9-3-1-4-10-23)34(55)49-28(16-18-32(42)53)38(59)51-20-8-14-30(51)37(58)48-27(15-17-31(41)52)36(57)47-26(13-7-19-46-39(44)45)35(56)50-29(33(43)54)22-24-11-5-2-6-12-24/h1-6,9-12,25-30H,7-8,13-22,40H2,(H2,41,52)(H2,42,53)(H2,43,54)(H,47,57)(H,48,58)(H,49,55)(H,50,56)(H4,44,45,46)/t25-,26-,27-,28-,29-,30-/m0/s1
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Similars
PubMed
 0.430n/an/an/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Binding affinity for NPPF receptor in rat spinal cord membranes using the radioligand [125I]-[Tyr1]NPFF

J Med Chem 37: 3477-81 (1994)


BindingDB Entry DOI: 10.7270/Q20R9NGR
More data for this
Ligand-Target Pair