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Compile Data Set for Download or QSAR

Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50049002   
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 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 66n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 83n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 126n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Rattus norvegicus)
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 127n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


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 2


(Mus musculus)
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 128n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Rattus norvegicus)
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 136n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant rat LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


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 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 190n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232681
PNG
(CHEMBL4099444 | US11358936, Compound 4-11)
Show SMILES NCc1ccnc(c1)-n1ccnc1
Show InChI InChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2
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n/an/a 203n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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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 2


(Mus musculus)
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 227n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant mouse LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 243n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232682
PNG
(CHEMBL3467241 | US11358936, Compound 2-7)
Show SMILES NCc1ccnc(Oc2ccccc2)c1
Show InChI InChI=1S/C12H12N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,9,13H2
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n/an/a 309n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232693
PNG
(CHEMBL4072524 | US11358936, Compound 2-3)
Show SMILES NCc1ccnc(c1)-c1cccnc1
Show InChI InChI=1S/C11H11N3/c12-7-9-3-5-14-11(6-9)10-2-1-4-13-8-10/h1-6,8H,7,12H2
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n/an/a 321n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232684
PNG
(CHEMBL4103840 | US11358936, Compound 4-3)
Show SMILES NCc1ccnc(F)c1
Show InChI InChI=1S/C6H7FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 385n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 396n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using...


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 2


(Homo sapiens (Human))
BDBM50232694
PNG
(CHEMBL4079586 | US11358936, Compound 4-2)
Show SMILES NCc1ccncc1F
Show InChI InChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
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n/an/a 431n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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
Protein-lysine 6-oxidase


(Homo sapiens (Human))
BDBM50232678
PNG
(CHEBI:27413 | CHEMBL1618272 | US10717734, Compound...)
Show InChI InChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2
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n/an/a 550n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


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 2


(Homo sapiens (Human))
BDBM50232691
PNG
(CHEMBL4068773)
Show SMILES NCc1ccc(cc1)C#N
Show InChI InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
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n/an/a 670n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232698
PNG
(CHEMBL1235374 | EN300-50211)
Show SMILES NCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H8N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5,8H2
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n/an/a 719n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232688
PNG
(CHEMBL4075843)
Show SMILES NCc1ccc(cc1)-c1nccs1
Show InChI InChI=1S/C10H10N2S/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10/h1-6H,7,11H2
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n/an/a 902n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232685
PNG
(CHEMBL4096085 | US11358936, Compound 4-4)
Show SMILES NCc1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C7H7F3N2/c8-7(9,10)6-3-5(4-11)1-2-12-6/h1-3H,4,11H2
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n/an/a 999n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232690
PNG
(4-Aminomethyl-Benzamidine | CHEMBL187301)
Show SMILES NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 1.11E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232683
PNG
(CHEMBL4066086)
Show SMILES COc1cc(CN)ccn1
Show InChI InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232687
PNG
(CHEMBL1188378)
Show SMILES NCc1ccncc1
Show InChI InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
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n/an/a 1.22E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 1.45E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells spiked into human whole blood assessed as reduction in H2O2 production using...


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 2


(Homo sapiens (Human))
BDBM50232697
PNG
((3-(Methoxycarbonyl)Phenyl)Methanaminium | CHEMBL1...)
Show SMILES COC(=O)c1cccc(CN)c1
Show InChI InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6,10H2,1H3
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n/an/a 3.54E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50408793
PNG
(CHEMBL148986)
Show SMILES COC(=O)c1ccc(CN)cc1
Show InChI InChI=1S/C9H11NO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
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n/an/a 3.62E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232689
PNG
(CHEMBL4098510)
Show SMILES NCc1cccc(c1)C(N)=N
Show InChI InChI=1S/C8H11N3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5,9H2,(H3,10,11)
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n/an/a 4.97E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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
Protein-lysine 6-oxidase


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a 5.91E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOX expressed in HEK cells assessed as reduction in H2O2 production using DAP as substrate preincubated f...


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 2


(Homo sapiens (Human))
BDBM50232695
PNG
(CHEMBL4060123)
Show SMILES NCc1ccnc2ccccc12
Show InChI InChI=1S/C10H10N2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7,11H2
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n/an/a 6.04E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232686
PNG
(CHEMBL4088360)
Show SMILES NCCc1ccncc1
Show InChI InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
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n/an/a 8.21E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50113835
PNG
(4-Fluoro-benzylamine | 4-fluorobenzylamine | CHEMB...)
Show SMILES NCc1ccc(F)cc1
Show InChI InChI=1S/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
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n/an/a 2.60E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
Show SMILES NCc1ccnc(Cl)c1
Show InChI InChI=1S/C6H7ClN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
PDB
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n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50232679
PNG
(CHEMBL4068784 | US11358936, Compound 4-5)
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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n/an/a>3.00E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


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 2


(Homo sapiens (Human))
BDBM50232680
PNG
(CHEMBL4084804)
Show SMILES NCc1cc(ncc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C12H10F3N3/c13-12(14,15)10-7-18-11(4-9(10)5-16)8-2-1-3-17-6-8/h1-4,6-7H,5,16H2
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n/an/a>3.10E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232692
PNG
(CHEMBL4098672)
Show SMILES CNCc1ccc(cc1)C#N
Show InChI InChI=1S/C9H10N2/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5,11H,7H2,1H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50408786
PNG
(CHEMBL148476)
Show SMILES NCc1ccc(N)cc1
Show InChI InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
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n/an/a 4.70E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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n/an/a 6.01E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM10999
PNG
(Benzenemethanamine | Bn-NH2 | CHEMBL522 | benzylam...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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n/an/a 6.47E+4n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50113851
PNG
((+/-)-Tranylcypromine | 2-PCPA | 2-Phenyl-cyclopro...)
Show SMILES NC1CC1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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 2


(Homo sapiens (Human))
BDBM50232696
PNG
(CHEMBL4084448)
Show SMILES CNc1ccc(CN)cc1
Show InChI InChI=1S/C8H12N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,6,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


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