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BDBM50037563 2-{[1-(2-{2-[2-(2-Amino-3-(p-hydroxyphenyl)-propionylamino)-4-methyl-pentanoylamino]-3-phenyl-propionylmethylamino}-4-carbamoyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-pentanedioic acid 5-amide 1-{[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butyl]-amide}::CHEMBL410577

SMILES: CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)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=OLADVLSBDMEFSV-FQDIPHCISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037563   
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)		BDBM50037563
PNG
(2-{[1-(2-{2-[2-(2-Amino-3-(p-hydroxyphenyl)-propio...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)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/C54H76N14O11/c1-31(2)27-41(66-47(73)36(55)28-34-17-19-35(69)20-18-34)50(76)67-42(30-33-13-7-4-8-14-33)51(77)64-39(22-24-45(57)71)53(79)68-26-10-16-43(68)52(78)63-38(21-23-44(56)70)49(75)62-37(15-9-25-61-54(59)60)48(74)65-40(46(58)72)29-32-11-5-3-6-12-32/h3-8,11-14,17-20,31,36-43,69H,9-10,15-16,21-30,55H2,1-2H3,(H2,56,70)(H2,57,71)(H2,58,72)(H,62,75)(H,63,78)(H,64,77)(H,65,74)(H,66,73)(H,67,76)(H4,59,60,61)/t36-,37+,38+,39+,40+,41-,42+,43+/m1/s1
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Similars
PubMed
 0.5n/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