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BDBM50001439 3-Amino-N-(1-{1-[1-({[1-benzyl-2-(1-carbamoyl-3-methyl-butylamino)-ethylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL337970

SMILES: CC(C)C[C@H](NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O

InChI Key: InChIKey=OYLGODCMXMYQFD-HLYNNXGTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001439   
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
TACR2


(HAMSTER)
BDBM50001439
PNG
(3-Amino-N-(1-{1-[1-({[1-benzyl-2-(1-carbamoyl-3-me...)
Show SMILES CC(C)C[C@H](NC[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(N)=O
Show InChI InChI=1S/C38H56N8O9/c1-22(2)15-28(34(40)51)41-19-26(16-24-11-7-5-8-12-24)43-31(48)20-42-38(55)33(23(3)4)46-36(53)29(17-25-13-9-6-10-14-25)44-37(54)30(21-47)45-35(52)27(39)18-32(49)50/h5-14,22-23,26-30,33,41,47H,15-21,39H2,1-4H3,(H2,40,51)(H,42,55)(H,43,48)(H,44,54)(H,45,52)(H,46,53)(H,49,50)/t26-,27-,28-,29-,30-,33-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of [125I]NKA binding to hamster urinary bladder Tachykinin receptor 2


J Med Chem 35: 3949-55 (1992)


Article DOI: 10.1021/jm00099a024
BindingDB Entry DOI: 10.7270/Q2FF3SZB
More data for this
Ligand-Target Pair