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Compile Data Set for Download or QSAR

Found 18 hits of ic50 data for polymerid = 50007327   
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
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50058655
PNG
(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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n/an/a 93n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM43362
PNG
(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Show SMILES CN(C)C(=S)SSC(=S)N(C)C
Show InChI InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
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KEGG
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n/an/a 110n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 170n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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Article
PubMed
n/an/a 214n/an/an/an/an/an/a



PharmAkea Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged LOXL3 (1 to 753 residues) assessed as reduction in H2O2 production using DAP as substrate pre...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
BindingDB Entry DOI: 10.7270/Q2542QV6
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50266786
PNG
(CHEMBL4063337)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1
Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m1./s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by s...


J Med Chem 60: 4403-4423 (2017)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50266787
PNG
(CHEMBL4092740)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@H](O)[C@@H](F)C2)c1
Show InChI InChI=1S/C17H18FN3O3.ClH/c18-14-9-21(10-15(14)22)17(23)12-2-1-3-13(7-12)24-16-6-11(8-19)4-5-20-16;/h1-7,14-15,22H,8-10,19H2;1H/t14-,15-;/m0./s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by s...


J Med Chem 60: 4403-4423 (2017)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463622
PNG
(CHEMBL4245637)
Show SMILES CC1C(C)=NN(C1=O)c1ccccc1
Show InChI InChI=1S/C11H12N2O/c1-8-9(2)12-13(11(8)14)10-6-4-3-5-7-10/h3-8H,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50266822
PNG
(CHEMBL4079398)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F4N3O3.ClH/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22;/h1-6,13-14,26H,7-9,23H2;1H/t13-,14-;/m1./s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs followed by s...


J Med Chem 60: 4403-4423 (2017)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463620
PNG
(CHEMBL4240937)
Show SMILES CCN1\C(C=Cc2ccccc12)=C1/C(=O)N(N=C1Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H22N4O/c1-2-29-22-16-10-9-11-19(22)17-18-23(29)24-25(27-20-12-5-3-6-13-20)28-30(26(24)31)21-14-7-4-8-15-21/h3-18H,2H2,1H3,(H,27,28)/b24-23-
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n/an/a 2.10E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463614
PNG
(CHEMBL4237334)
Show SMILES O=c1n([nH]c2nc(ccc12)-c1cccs1)-c1ccccc1
Show InChI InChI=1S/C16H11N3OS/c20-16-12-8-9-13(14-7-4-10-21-14)17-15(12)18-19(16)11-5-2-1-3-6-11/h1-10H,(H,17,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463617
PNG
(CHEMBL4238380)
Show SMILES Cc1cc(c(C)o1)-c1ccc2c(n1)[nH]n(-c1ccccc1)c2=O
Show InChI InChI=1S/C18H15N3O2/c1-11-10-15(12(2)23-11)16-9-8-14-17(19-16)20-21(18(14)22)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50366038
PNG
(CHEMBL1356238)
Show SMILES [O-][n+]1ccccc1S
Show InChI InChI=1S/C5H5NOS/c7-6-4-2-1-3-5(6)8/h1-4,8H
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CHEMBL
MMDB
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n/an/a 1.20E+4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463618
PNG
(CHEMBL4241062)
Show SMILES CC1=NN(C(=O)\C1=C\NNc1nnc(C)c(O)n1)c1ccccc1
Show InChI InChI=1S/C15H15N7O2/c1-9-12(8-16-19-15-17-13(23)10(2)18-20-15)14(24)22(21-9)11-6-4-3-5-7-11/h3-8,16H,1-2H3,(H2,17,19,20,23)/b12-8+
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UniChem
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463613
PNG
(CHEMBL1927732)
Show SMILES O=c1n(-c2ccccc2)c(=S)[nH]c2ncccc12
Show InChI InChI=1S/C13H9N3OS/c17-12-10-7-4-8-14-11(10)15-13(18)16(12)9-5-2-1-3-6-9/h1-8H,(H,14,15,18)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463619
PNG
(CHEMBL4242081)
Show SMILES COc1ccccc1-c1cc(=O)c2c([nH]n(-c3ccccc3)c2=O)[nH]1
Show InChI InChI=1S/C19H15N3O3/c1-25-16-10-6-5-9-13(16)14-11-15(23)17-18(20-14)21-22(19(17)24)12-7-3-2-4-8-12/h2-11H,1H3,(H2,20,21,23)
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n/an/a 5.70E+4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463621
PNG
(CHEMBL3144916)
Show SMILES Cc1cc(C)c2c(n1)[nH]n(-c1ccccc1)c2=O
Show InChI InChI=1S/C14H13N3O/c1-9-8-10(2)15-13-12(9)14(18)17(16-13)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,15,16)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463615
PNG
(CHEMBL4251179)
Show SMILES CCOC(=O)c1sc(N\N=C2\C(N)=NN(C2=O)c2ccccc2)c(C(=O)OCC)c1C
Show InChI InChI=1S/C20H21N5O5S/c1-4-29-19(27)13-11(3)15(20(28)30-5-2)31-17(13)23-22-14-16(21)24-25(18(14)26)12-9-7-6-8-10-12/h6-10,23H,4-5H2,1-3H3,(H2,21,24)/b22-14-
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n/an/a>1.00E+5n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 3


(Homo sapiens (Human))
BDBM50463616
PNG
(CHEMBL4241417)
Show SMILES CC(C)(C)C1=NN(C(=O)C1)c1ccccc1
Show InChI InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
UniProtKB/SwissProt

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...


Bioorg Med Chem Lett 28: 3113-3118 (2018)

More data for this
Ligand-Target Pair