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BDBM50081932 CHEMBL410170::H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{5-[(S)-1-amino-2-phenylethyl]-1,2,4-triazol-3-ylcarbonyl}-Leu-Met-NH2

SMILES: CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N

InChI Key: InChIKey=RMFFCIHXOAESTP-BHEJXMHWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081932   
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


(Rattus norvegicus (rat))		BDBM50081932
PNG
(CHEMBL410170 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{5-[(...)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)c1nnc([nH]1)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N
Show InChI InChI=1S/C62H95N19O11S/c1-36(2)33-44(74-54(85)39(64)27-32-93-3)51(84)53-77-52(78-79-53)45(34-37-15-6-4-7-16-37)75-57(88)46(35-38-17-8-5-9-18-38)76-56(87)41(23-25-49(66)82)71-55(86)42(24-26-50(67)83)72-58(89)48-22-14-31-81(48)61(92)43(20-10-11-28-63)73-59(90)47-21-13-30-80(47)60(91)40(65)19-12-29-70-62(68)69/h4-9,15-18,36,39-48H,10-14,19-35,63-65H2,1-3H3,(H2,66,82)(H2,67,83)(H,71,86)(H,72,89)(H,73,90)(H,74,85)(H,75,88)(H,76,87)(H4,68,69,70)(H,77,78,79)/t39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for rat Tachykinin receptor 1 determined in displacement screening by using radioligand 3,4-[3H]-(L-Pro e2) SP.

J Med Chem 42: 4331-42 (1999)


BindingDB Entry DOI: 10.7270/Q2SJ1MBK
More data for this
Ligand-Target Pair