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BDBM50401757 CHEMBL2207142

SMILES: CC(C)C[C@H](OC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)OCC(O)=O

InChI Key: InChIKey=DVVDJCTVFFTBDW-STQMWFEESA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50401757   
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
Peptidyl-glycine alpha-amidating monooxygenase


(Homo sapiens (Human))
BDBM50401757
PNG
(CHEMBL2207142)
Show SMILES CC(C)C[C@H](OC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)OCC(O)=O |r|
Show InChI InChI=1S/C17H26N2O8/c1-10(2)7-13(16(24)18-8-15(23)26-9-14(21)22)27-17(25)12-5-4-6-19(12)11(3)20/h10,12-13H,4-9H2,1-3H3,(H,18,24)(H,21,22)/t12-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Competitive inhibition of PAM in human DMS53 cells using as(R)-Tyr-(S)-Val-Gly as substrate after 2 hrs by HPLC analysis


Bioorg Med Chem Lett 22: 7015-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.004
BindingDB Entry DOI: 10.7270/Q2VT1T73
More data for this
Ligand-Target Pair
Peptidyl-glycine alpha-amidating monooxygenase


(Homo sapiens (Human))
BDBM50401757
PNG
(CHEMBL2207142)
Show SMILES CC(C)C[C@H](OC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)OCC(O)=O |r|
Show InChI InChI=1S/C17H26N2O8/c1-10(2)7-13(16(24)18-8-15(23)26-9-14(21)22)27-17(25)12-5-4-6-19(12)11(3)20/h10,12-13H,4-9H2,1-3H3,(H,18,24)(H,21,22)/t12-,13-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+5n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Competitive inhibition of secreted PAM in human DMS53 cell culture medium using as(R)-Tyr-(S)-Val-Gly as substrate after 2 hrs by HPLC analysis


Bioorg Med Chem Lett 22: 7015-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.004
BindingDB Entry DOI: 10.7270/Q2VT1T73
More data for this
Ligand-Target Pair