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PubMed code 32676150

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Interleukin-1 receptor antagonist protein


(Homo sapiens)		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(Homo sapiens)		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Arg-AMC as substrate incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Interleukin-1 receptor antagonist protein


(Homo sapiens)		BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of human IRAP soluble domain expressed in HEK293S GnTI(-) cells using Leu-AMC as substrate incubated for 2 hrs by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))		BDBM50331042
PNG
(2-(2-(((4R,8S,11S)-11-amino-8-(4-hydroxybenzyl)-6,...)
Show SMILES N[C@H]1CCSSC[C@H](NC(=O)C[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O |r|
Show InChI InChI=1S/C26H32N4O6S2/c27-21-9-10-37-38-15-22(26(36)28-14-18-4-2-1-3-17(18)12-24(33)34)30-23(32)13-19(29-25(21)35)11-16-5-7-20(31)8-6-16/h1-8,19,21-22,31H,9-15,27H2,(H,28,36)(H,29,35)(H,30,32)(H,33,34)/t19-,21-,22-/m0/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))		BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 7.94E+3n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP2 (unknown origin) using Arg-AMC as substrate by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))		BDBM85550
PNG
(Ang IV | CAS_12676-15-2 | CHEMBL261120 | cid_12381...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 7.94E+4n/an/an/an/an/an/a



National Center for Scientific Research Demokritos

Curated by ChEMBL


Assay Description
Inhibition of ERAP1 (unknown origin) using Leu-AMC as substrate by fluorescence based assay

ACS Med Chem Lett 11: 1429-1434 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00172
BindingDB Entry DOI: 10.7270/Q2WM1J0W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%