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Compile Data Set for Download or QSAR

Found 13 hits of ki data for polymerid = 50007438   
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
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50248829
PNG
(CHEMBL4084229)
Show SMILES CC1(C)NC(=O)N(CCc2nnn[nH]2)C1=O
Show InChI InChI=1S/C8H12N6O2/c1-8(2)6(15)14(7(16)9-8)4-3-5-10-12-13-11-5/h3-4H2,1-2H3,(H,9,16)(H,10,11,12,13)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

Similars

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



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...


Bioorg Med Chem 25: 2643-2656 (2017)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246180
PNG
(CHEMBL4099413)
Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-24-11-5-8-18(24)20(27)23-17(9-12-25-13-10-21-15-25)19(26)22-14-16-6-3-2-4-7-16/h2-8,10-11,13,15,17H,9,12,14H2,1H3,(H,22,26)(H,23,27)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246191
PNG
(CHEMBL4089260)
Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.10E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.79E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...


Bioorg Med Chem 25: 2643-2656 (2017)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246193
PNG
(CHEMBL4061099)
Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnn1)NC(=O)c1ccco1
Show InChI InChI=1S/C18H19N5O3/c24-17(19-13-14-5-2-1-3-6-14)15(8-10-23-11-9-20-22-23)21-18(25)16-7-4-12-26-16/h1-7,9,11-12,15H,8,10,13H2,(H,19,24)(H,21,25)/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.82E+5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246174
PNG
(CHEMBL4101345)
Show SMILES CC(C)NC(=O)[C@H](CCn1ccnc1)NC(=O)c1ccco1
Show InChI InChI=1S/C15H20N4O3/c1-11(2)17-14(20)12(5-7-19-8-6-16-10-19)18-15(21)13-4-3-9-22-13/h3-4,6,8-12H,5,7H2,1-2H3,(H,17,20)(H,18,21)/t12-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.54E+5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50248832
PNG
(CHEMBL4084379)
Show SMILES CC1(C)NC(=O)N(CCN2CCNCC2)C1=O
Show InChI InChI=1S/C11H20N4O2/c1-11(2)9(16)15(10(17)13-11)8-7-14-5-3-12-4-6-14/h12H,3-8H2,1-2H3,(H,13,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
7.14E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...


Bioorg Med Chem 25: 2643-2656 (2017)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246192
PNG
(CHEMBL4083360)
Show SMILES CC(C)NC(=O)[C@H](CCn1cnc(CC#N)c1)NC(=O)c1ccco1
Show InChI InChI=1S/C17H21N5O3/c1-12(2)20-16(23)14(21-17(24)15-4-3-9-25-15)6-8-22-10-13(5-7-18)19-11-22/h3-4,9-12,14H,5-6,8H2,1-2H3,(H,20,23)(H,21,24)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246195
PNG
(CHEMBL4087801)
Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)c1ccco1
Show InChI InChI=1S/C17H28N4O3/c1-13(2)18-16(22)14(19-17(23)15-5-4-12-24-15)6-7-21-10-8-20(3)9-11-21/h4-5,12-14H,6-11H2,1-3H3,(H,18,22)(H,19,23)/t14-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.84E+6n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50248830
PNG
(CHEMBL4089583)
Show SMILES CC1(C)NC(=O)N(CCn2ccnc2)C1=O
Show InChI InChI=1S/C10H14N4O2/c1-10(2)8(15)14(9(16)12-10)6-5-13-4-3-11-7-13/h3-4,7H,5-6H2,1-2H3,(H,12,16)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
4.62E+6n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse N-terminal GST-tagged PAD2 expressed in baculovirus infected Sf9 cells using benzoyl arginine ethyl ester...


Bioorg Med Chem 25: 2643-2656 (2017)

More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246173
PNG
(CHEMBL4082498)
Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)C1CCCCC1
Show InChI InChI=1S/C19H36N4O2/c1-15(2)20-19(25)17(9-10-23-13-11-22(3)12-14-23)21-18(24)16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3,(H,20,25)(H,21,24)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246179
PNG
(CHEMBL4081389)
Show SMILES O=C(NCc1ccccc1)[C@H](CCn1ccnc1)NC(=O)c1ccco1
Show InChI InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair
Protein-arginine deiminase type-2


(Mus musculus)
BDBM50246172
PNG
(CHEMBL4068124)
Show SMILES CC(C)NC(=O)[C@H](CCN1CCN(C)CC1)NC(=O)N1CCOCC1
Show InChI InChI=1S/C17H33N5O3/c1-14(2)18-16(23)15(4-5-21-8-6-20(3)7-9-21)19-17(24)22-10-12-25-13-11-22/h14-15H,4-13H2,1-3H3,(H,18,23)(H,19,24)/t15-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of full length mouse GST-tagged PAD2 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...


J Med Chem 60: 8876-8887 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01102
More data for this
Ligand-Target Pair