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BDBM50037558 2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4-methyl-pentanoylamino]-3-phenyl-propionylamino}-acetyl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-{[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}::CHEMBL386133

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=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=QUNUMNAHXOSWPR-IFLLZMBLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037558   
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)		BDBM50037558
PNG
(2-{[1-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-4...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=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/C51H71N13O9/c1-31(2)26-39(62-45(68)35(52)27-32-14-6-3-7-15-32)49(72)63-40(29-34-18-10-5-11-19-34)46(69)58-30-43(66)64-25-13-21-41(64)50(73)60-37(22-23-42(53)65)48(71)59-36(20-12-24-57-51(55)56)47(70)61-38(44(54)67)28-33-16-8-4-9-17-33/h3-11,14-19,31,35-41H,12-13,20-30,52H2,1-2H3,(H2,53,65)(H2,54,67)(H,58,69)(H,59,71)(H,60,73)(H,61,70)(H,62,68)(H,63,72)(H4,55,56,57)/t35-,36-,37-,38-,39-,40-,41-/m0/s1
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Similars
PubMed
 10n/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