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2 similar compounds to monomer 50046133

Compile data set for download or QSAR
Wt: 422.4
BDBM50046132
Wt: 476.5
BDBM50046138

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50046132,50046138   
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
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046138
PNG
(2-[2-(Cyclohexylmethyl-hydroxy-phosphorylamino)-4-...)
Show SMILES CC(C)C[C@H](NP([O-])(=O)CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H36N3O5P/c1-16(2)12-21(27-33(31,32)15-17-8-4-3-5-9-17)23(28)26-22(24(29)30)13-18-14-25-20-11-7-6-10-19(18)20/h6-7,10-11,14,16-17,21-22,25H,3-5,8-9,12-13,15H2,1-2H3,(H,26,28)(H,29,30)(H2,27,31,32)/p-1/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair
Endothelin-converting enzyme 1 (ECE1)


(Homo sapiens (Human))
BDBM50046132
PNG
(2-[propyl-hydroxy-phosphorylamino)-4-methyl-pentan...)
Show SMILES CCCP([O-])(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C20H30N3O5P/c1-4-9-29(27,28)23-17(10-13(2)3)19(24)22-18(20(25)26)11-14-12-21-16-8-6-5-7-15(14)16/h5-8,12-13,17-18,21H,4,9-11H2,1-3H3,(H,22,24)(H,25,26)(H2,23,27,28)/p-1/t17-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Monsanto Corp

Curated by ChEMBL


Assay Description
Inhibition of endothelin converting enzyme in an RIA assay using ET-1 as substrate


J Med Chem 36: 173-6 (1993)


Article DOI: 10.1021/jm00053a023
BindingDB Entry DOI: 10.7270/Q22V2GR8
More data for this
Ligand-Target Pair