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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P28301   
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
Protein-lysine 6-oxidase


(Mus musculus)
BDBM50526737
PNG
(CHEMBL4528500 | US10807974, Example 82 | US1099508...)
Show SMILES Cc1ccc(cc1)-c1cc(ccc1S(C)(=O)=O)S(=O)(=O)c1ccc(CN)s1
Show InChI InChI=1S/C19H19NO4S3/c1-13-3-5-14(6-4-13)17-11-16(8-9-18(17)26(2,21)22)27(23,24)19-10-7-15(12-20)25-19/h3-11H,12,20H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<180n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 1...


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Mus musculus)
BDBM50526721
PNG
(CHEMBL4444163 | US10807974, Example 111 | US109950...)
Show SMILES CCc1cc(cc(c1)S(=O)(=O)c1cnc(CN)s1)-c1cnn(C)c1
Show InChI InChI=1S/C16H18N4O2S2/c1-3-11-4-12(13-8-19-20(2)10-13)6-14(5-11)24(21,22)16-9-18-15(7-17)23-16/h4-6,8-10H,3,7,17H2,1-2H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 1...


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Mus musculus)
BDBM469107
PNG
(US10807974, Example 126 | US10995088, Example 126 ...)
Show SMILES NCc1ncc(s1)S(=O)(=O)c1cc(cc(c1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H14N2O4S2/c18-9-15-19-10-16(24-15)25(22,23)14-7-12(6-13(8-14)17(20)21)11-4-2-1-3-5-11/h1-8,10H,9,18H2,(H,20,21)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 700n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 1...


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Mus musculus)
BDBM50505638
PNG
(CHEMBL4457578)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)n(C\C(F)=C\CN)c2ccc(cc12)C(O)=O
Show InChI InChI=1S/C22H24FN3O4S/c1-14-21(15-5-4-6-18(11-15)31(29,30)25(2)3)19-12-16(22(27)28)7-8-20(19)26(14)13-17(23)9-10-24/h4-9,11-12H,10,13,24H2,1-3H3,(H,27,28)/b17-9-
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Pharmaxis Ltd

Curated by ChEMBL


Assay Description
Inhibition of LOX in mouse lung fibroblast cells using putrescine as substrate preincubated with enzyme for 30 mins followed by substrate addition an...


J Med Chem 62: 9874-9889 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01283
BindingDB Entry DOI: 10.7270/Q2VM4GJ2
More data for this
Ligand-Target Pair
Protein-lysine 6-oxidase


(Mus musculus)
BDBM50501885
PNG
(CHEMBL4441173 | US10807974, Example 68 | US1099508...)
Show SMILES CS(=O)(=O)c1cc(cc(c1)S(=O)(=O)c1ccc(CN)s1)-c1ccccc1
Show InChI InChI=1S/C18H17NO4S3/c1-25(20,21)16-9-14(13-5-3-2-4-6-13)10-17(11-16)26(22,23)18-8-7-15(12-19)24-18/h2-11H,12,19H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



The Institute of Cancer Research: Royal Cancer Hospital

US Patent


Assay Description
To produce MDCK cysts, cells were cultured on Matrigel (Corning) with 2% Matrigel supplemented in DMEM with 10% FBS. Cysts were allowed to form for 1...


US Patent US10807974 (2020)


BindingDB Entry DOI: 10.7270/Q2TH8QS8
More data for this
Ligand-Target Pair