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BDBM50001442 3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-butylamino)-methyl]-3-methyl-butylcarbamoyl}-ethylcarbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylcarbamoyl}-2-hydroxy-ethyl)-succinamic acid::CHEMBL340880

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

InChI Key: InChIKey=PZUFIKPNHUHVHX-POOCDACNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50001442   
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)
BDBM50001442
PNG
(3-Amino-N-(1-{1-[1-(2-{1-[(1-carbamoyl-3-methyl-bu...)
Show SMILES CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)CCNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(O)=O)C(C)C
Show InChI InChI=1S/C36H60N8O9/c1-20(2)14-24(18-40-26(32(38)49)15-21(3)4)41-29(46)12-13-39-36(53)31(22(5)6)44-34(51)27(16-23-10-8-7-9-11-23)42-35(52)28(19-45)43-33(50)25(37)17-30(47)48/h7-11,20-22,24-28,31,40,45H,12-19,37H2,1-6H3,(H2,38,49)(H,39,53)(H,41,46)(H,42,52)(H,43,50)(H,44,51)(H,47,48)/t24-,25-,26-,27-,28-,31-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 108n/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