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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'deddouche-grass' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571877
PNG
(CHEMBL4878272)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r|
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1.51E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571875
PNG
(CHEMBL4847486)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@H](N)CCC(N)=O)ccc3C22OC(=O)c3ccccc23)c1 |r|
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3.35E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-(D)-Q as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571878
PNG
(CHEMBL4855021)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r|
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5.63E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-AFKARKF as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571876
PNG
(CHEMBL4875911)
Show SMILES CC(C)C[C@H](N)C(=O)Nc1ccc2c(Oc3cc(NC(=O)[C@@H](CCC(N)=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccccc4)C(O)=O)ccc3C22OC(=O)c3ccccc23)c1 |r|
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8.12E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERAP1 (unknown origin) using L-Rho-Succ-KARKF as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50076744
PNG
(CHEMBL3416733)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a<1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571866
PNG
(CHEMBL4862557)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50076744
PNG
(CHEMBL3416733)
Show SMILES CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/a 52n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571865
PNG
(CHEMBL4863142)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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n/an/a 99n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571867
PNG
(CHEMBL4875461)
Show SMILES OC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571872
PNG
(CHEMBL4864508)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571874
PNG
(CHEMBL4855038)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1
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n/an/a 151n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571868
PNG
(CHEMBL4854530)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571862
PNG
(CHEMBL4847534)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)c1nnn[nH]1
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571856
PNG
(CHEMBL4850551)
Show SMILES CCC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571857
PNG
(CHEMBL4854083)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB
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n/an/a 698n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571871
PNG
(CHEMBL4873254)
Show SMILES CC(C)(NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
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n/an/a 1.03E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571864
PNG
(CHEMBL4853997)
Show SMILES OC(=O)C1(CC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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n/an/a 1.12E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571858
PNG
(CHEMBL4855147)
Show SMILES OC(=O)C1(CCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(cc1)C(F)(F)F
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n/an/a 1.62E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571869
PNG
(CHEMBL4852033)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
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n/an/a 1.76E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571873
PNG
(CHEMBL4877678)
Show SMILES CC(C)(NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571870
PNG
(CHEMBL4849207)
Show SMILES CN(C(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(C)(C)C(O)=O
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571859
PNG
(CHEMBL4863578)
Show SMILES CCC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(cc1)C(F)(F)F)C(O)=O
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n/an/a 2.68E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571863
PNG
(CHEMBL4846862)
Show SMILES C[C@H](NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O |r|
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n/an/a 4.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571860
PNG
(CHEMBL4858634)
Show SMILES COC(=O)C(C)(C)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50571861
PNG
(CHEMBL4873293)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(N)=O
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TBA

Assay Description
Inhibition of wild type ERAP1 (unknown origin) using L-Rho-Succ-FKARKF as substrate preincubated for 15 mins followed by substrate addition and measu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571857
PNG
(CHEMBL4854083)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571864
PNG
(CHEMBL4853997)
Show SMILES OC(=O)C1(CC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571865
PNG
(CHEMBL4863142)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571866
PNG
(CHEMBL4862557)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571867
PNG
(CHEMBL4875461)
Show SMILES OC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571868
PNG
(CHEMBL4854530)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571869
PNG
(CHEMBL4852033)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571871
PNG
(CHEMBL4873254)
Show SMILES CC(C)(NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571872
PNG
(CHEMBL4864508)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571873
PNG
(CHEMBL4877678)
Show SMILES CC(C)(NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50571874
PNG
(CHEMBL4855038)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571856
PNG
(CHEMBL4850551)
Show SMILES CCC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB

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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571857
PNG
(CHEMBL4854083)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571864
PNG
(CHEMBL4853997)
Show SMILES OC(=O)C1(CC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571865
PNG
(CHEMBL4863142)
Show SMILES OC(=O)C1(CCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571866
PNG
(CHEMBL4862557)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571867
PNG
(CHEMBL4875461)
Show SMILES OC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571868
PNG
(CHEMBL4854530)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571869
PNG
(CHEMBL4852033)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1 |r|
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571871
PNG
(CHEMBL4873254)
Show SMILES CC(C)(NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571872
PNG
(CHEMBL4864508)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2cc(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571873
PNG
(CHEMBL4877678)
Show SMILES CC(C)(NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50571874
PNG
(CHEMBL4855038)
Show SMILES OC(=O)C1(CCCCC1)NC(=O)c1cccc2c(Br)c(oc12)-c1ccc(Cl)cc1
PDB

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TBA

Assay Description
Inhibition of APN (unknown origin) using Ala-AMC as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50571857
PNG
(CHEMBL4854083)
Show SMILES CC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB
MMDB

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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50571856
PNG
(CHEMBL4850551)
Show SMILES CCC(C)(NC(=O)c1cc(F)cc2cc(oc12)-c1ccc(Cl)cc1)C(O)=O
PDB
MMDB

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TBA

Assay Description
Inhibition of CYP3A4 (unknown origin) using midazolam as substrate


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00235
BindingDB Entry DOI: 10.7270/Q2QJ7N22
More data for this
Ligand-Target Pair
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