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BDBM50077016 CHEMBL3416723

SMILES: CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1

InChI Key: InChIKey=MCENDTVOICFENC-UGKGYDQZSA-N

Data: 3 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 3 hits for monomerid = 50077016   
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
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077016
PNG
(CHEMBL3416723)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O4/c1-4-5-11-19(26)24(31)28-21-13-12-18(14-20(21)27)23(30)29-22(16(2)3)25(32)33-15-17-9-7-6-8-10-17/h6-10,12-14,16,19,22H,4-5,11,15,26-27H2,1-3H3,(H,28,31)(H,29,30)/t19-,22-/m0/s1
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077016
PNG
(CHEMBL3416723)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O4/c1-4-5-11-19(26)24(31)28-21-13-12-18(14-20(21)27)23(30)29-22(16(2)3)25(32)33-15-17-9-7-6-8-10-17/h6-10,12-14,16,19,22H,4-5,11,15,26-27H2,1-3H3,(H,28,31)(H,29,30)/t19-,22-/m0/s1
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Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077016
PNG
(CHEMBL3416723)
Show SMILES CCCC[C@H](N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C25H34N4O4/c1-4-5-11-19(26)24(31)28-21-13-12-18(14-20(21)27)23(30)29-22(16(2)3)25(32)33-15-17-9-7-6-8-10-17/h6-10,12-14,16,19,22H,4-5,11,15,26-27H2,1-3H3,(H,28,31)(H,29,30)/t19-,22-/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair