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BDBM50040413 (S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid anion::CHEMBL418012

SMILES: CC(C)C[C@H](NP(O)(=O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=ZPHBZEQOLSRPAK-ASWWRILVSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50040413   
Target
(Institution)
LigandTarget
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
Endothelin-converting enzyme 1 (ECE)


(Rattus norvegicus (Rat))
BDBM50040413
PNG
((S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-t...)
Show SMILES CC(C)C[C@H](NP(O)(=O)OC1OC(C)C(O)C(O)C1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12?,16-,17-,18?,19?,20?,23?/m0/s1
PDB
MMDB

SMPDB pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd.

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition of Endothelin-converting enzyme (ECE) of rat lung membrane


Citation and Details
More data for this
Ligand-Target Pair