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BDBM50081931 CHEMBL402884::H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5-((S)-1-amino-2-phenylethyl)-1,2,4-triazol-3-yl]acetyl}-Leu-Met-NH2

SMILES: CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1nnc([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=RCPOYFGISLMEBS-CUZNLEPHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50081931   
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))		BDBM50081931
PNG
(CHEMBL402884 | H-Arg-Pro-Lys-pro-Gln-Gln-Phe-{2-[5...)
Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)Cc1nnc([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/C63H97N19O11S/c1-37(2)33-45(75-55(86)40(65)27-32-94-3)50(83)36-53-78-54(80-79-53)46(34-38-15-6-4-7-16-38)76-58(89)47(35-39-17-8-5-9-18-39)77-57(88)42(23-25-51(67)84)72-56(87)43(24-26-52(68)85)73-59(90)49-22-14-31-82(49)62(93)44(20-10-11-28-64)74-60(91)48-21-13-30-81(48)61(92)41(66)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-66H2,1-3H3,(H2,67,84)(H2,68,85)(H,72,87)(H,73,90)(H,74,91)(H,75,86)(H,76,89)(H,77,88)(H4,69,70,71)(H,78,79,80)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/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