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Compile Data Set for Download or QSAR

Found 157 hits with Last Name = 'santini' and Initial = 'am'   
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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143361
PNG
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-heptane-1,...)
Show SMILES CCC[C@@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143364
PNG
(CHEMBL57657 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50080153
PNG
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)
Show SMILES NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266796
PNG
(CHEMBL4068580)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCc2cc3ccccc3s2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O2S/c24-23(25,26)20-8-14(12-27)9-21(29-20)31-17-6-3-5-16(10-17)22(30)28-13-18-11-15-4-1-2-7-19(15)32-18/h1-11H,12-13,27H2,(H,28,30)
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n/an/a 34n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266838
PNG
(CHEMBL4084982)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCCS(N)(=O)=O)nc(c1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)13-6-10(9-20)7-14(23-13)27-12-3-1-2-11(8-12)15(24)22-4-5-28(21,25)26/h1-3,6-8H,4-5,9,20H2,(H,22,24)(H2,21,25,26)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143345
PNG
(CHEMBL57487 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C23H31N3/c1-4-18(12-11-17-26(5-2)6-3)24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7-10,13-16,18H,4-6,11-12,17H2,1-3H3,(H,24,25)
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143358
PNG
((S)-N*1*,N*1*-Diethyl-N*4*-(1,2,3,4,5,6,7,8-octahy...)
Show SMILES CCN(CC)CCC[C@H](C)Nc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266824
PNG
(CHEMBL4082808)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCCn2cnnn2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7O2/c18-17(19,20)14-6-11(9-21)7-15(24-14)29-13-3-1-2-12(8-13)16(28)22-4-5-27-10-23-25-26-27/h1-3,6-8,10H,4-5,9,21H2,(H,22,28)
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n/an/a 43n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266783
PNG
(CHEMBL4086010)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H16FN3O2/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18/h1-11H,12,21H2,(H,23,24)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143348
PNG
(CHEMBL299461 | N*1*-Acridin-9-yl-1-cyclopropyl-N*4...)
Show SMILES CCN(CC)CCCC(Nc1c2ccccc2nc2ccccc12)C1CC1
Show InChI InChI=1S/C24H31N3/c1-3-27(4-2)17-9-14-21(18-15-16-18)26-24-19-10-5-7-12-22(19)25-23-13-8-6-11-20(23)24/h5-8,10-13,18,21H,3-4,9,14-17H2,1-2H3,(H,25,26)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266784
PNG
(CHEMBL4103928)
Show SMILES Cl.COc1ccc(NC(=O)c2cccc(Oc3cc(CN)ccn3)c2)cc1
Show InChI InChI=1S/C20H19N3O3/c1-25-17-7-5-16(6-8-17)23-20(24)15-3-2-4-18(12-15)26-19-11-14(13-21)9-10-22-19/h2-12H,13,21H2,1H3,(H,23,24)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266789
PNG
(CHEMBL4088453)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C19H17N3O2/c20-13-14-9-10-21-18(11-14)24-17-8-4-5-15(12-17)19(23)22-16-6-2-1-3-7-16/h1-12H,13,20H2,(H,22,23)
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n/an/a 56n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
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n/an/a 58n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266788
PNG
(CHEMBL4067192)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-10-22-19(11-16)25-18-8-4-7-17(12-18)20(24)23-14-15-5-2-1-3-6-15/h1-12H,13-14,21H2,(H,23,24)
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n/an/a 62n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266811
PNG
(CHEMBL4059919)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15/h1-11H,12,24H2,(H,25,27)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266838
PNG
(CHEMBL4084982)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCCS(N)(=O)=O)nc(c1)C(F)(F)F
Show InChI InChI=1S/C16H17F3N4O4S/c17-16(18,19)13-6-10(9-20)7-14(23-13)27-12-3-1-2-11(8-12)15(24)22-4-5-28(21,25)26/h1-3,6-8H,4-5,9,20H2,(H,22,24)(H2,21,25,26)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266788
PNG
(CHEMBL4067192)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C20H19N3O2/c21-13-16-9-10-22-19(11-16)25-18-8-4-7-17(12-18)20(24)23-14-15-5-2-1-3-6-15/h1-12H,13-14,21H2,(H,23,24)
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n/an/a 62n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266811
PNG
(CHEMBL4059919)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N3O2/c21-20(22,23)17-9-13(12-24)10-18(26-17)28-16-8-4-5-14(11-16)19(27)25-15-6-2-1-3-7-15/h1-11H,12,24H2,(H,25,27)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
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 66n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266840
PNG
(CHEMBL4089707 | US11072585, Example 56)
Show SMILES NCc1cc(Oc2cccc(Oc3ccccc3)c2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C19H15F3N2O2/c20-19(21,22)17-9-13(12-23)10-18(24-17)26-16-8-4-7-15(11-16)25-14-5-2-1-3-6-14/h1-11H,12,23H2
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266786
PNG
(CHEMBL4063337)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r|
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(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 |r|
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266824
PNG
(CHEMBL4082808)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCCn2cnnn2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7O2/c18-17(19,20)14-6-11(9-21)7-15(24-14)29-13-3-1-2-12(8-13)16(28)22-4-5-27-10-23-25-26-27/h1-3,6-8,10H,4-5,9,21H2,(H,22,28)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266795
PNG
(CHEMBL4063420)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C20H17N3O4/c21-12-13-8-9-22-18(10-13)27-17-3-1-2-15(11-17)19(24)23-16-6-4-14(5-7-16)20(25)26/h1-11H,12,21H2,(H,23,24)(H,25,26)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266795
PNG
(CHEMBL4063420)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C20H17N3O4/c21-12-13-8-9-22-18(10-13)27-17-3-1-2-15(11-17)19(24)23-16-6-4-14(5-7-16)20(25)26/h1-11H,12,21H2,(H,23,24)(H,25,26)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266787
PNG
(CHEMBL4092740)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@H](O)[C@@H](F)C2)c1 |r|
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 82n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266837
PNG
(CHEMBL4100783)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NC[C@@H](O)CO)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C17H18F3N3O4.ClH/c18-17(19,20)14-4-10(7-21)5-15(23-14)27-13-3-1-2-11(6-13)16(26)22-8-12(25)9-24;/h1-6,12,24-25H,7-9,21H2,(H,22,26);1H/t12-;/m1./s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266826
PNG
(CHEMBL4105137)
Show SMILES Cl.CONC(=O)c1cccc(Oc2cc(CN)cc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N3O3/c1-23-21-14(22)10-3-2-4-11(7-10)24-13-6-9(8-19)5-12(20-13)15(16,17)18/h2-7H,8,19H2,1H3,(H,21,22)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266796
PNG
(CHEMBL4068580)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)NCc2cc3ccccc3s2)nc(c1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O2S/c24-23(25,26)20-8-14(12-27)9-21(29-20)31-17-6-3-5-16(10-17)22(30)28-13-18-11-15-4-1-2-7-19(15)32-18/h1-11H,12-13,27H2,(H,28,30)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266823
PNG
(CHEMBL4097435)
Show SMILES Cl.Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](N)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N4O2.2ClH/c19-18(20,21)15-6-11(9-22)7-16(24-15)27-14-3-1-2-12(8-14)17(26)25-5-4-13(23)10-25;;/h1-3,6-8,13H,4-5,9-10,22-23H2;2*1H/t13-;;/m1../s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(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 |r|
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Mus musculus)
BDBM50266786
PNG
(CHEMBL4063337)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r|
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 100n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of recombinant mouse LOXL2 expressed in mouse whole blood assessed as reduction of H2O2 production from oxidative deamination of DAP prein...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266786
PNG
(CHEMBL4063337)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r|
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143357
PNG
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-pentane-1,...)
Show SMILES CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C22H29N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3,(H,23,24)/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266839
PNG
(CHEMBL4071963)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](O)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)15-6-11(9-22)7-16(23-15)27-14-3-1-2-12(8-14)17(26)24-5-4-13(25)10-24;/h1-3,6-8,13,25H,4-5,9-10,22H2;1H/t13-;/m1./s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266794
PNG
(CHEMBL4093765)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)NCc2cc3ccccc3s2)c1
Show InChI InChI=1S/C22H19N3O2S/c23-13-15-8-9-24-21(10-15)27-18-6-3-5-17(11-18)22(26)25-14-19-12-16-4-1-2-7-20(16)28-19/h1-12H,13-14,23H2,(H,25,26)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Rattus norvegicus)
BDBM50266786
PNG
(CHEMBL4063337)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)N2C[C@@H](O)[C@H](F)C2)c1 |r|
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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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of rat LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs foll...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266785
PNG
(CHEMBL4066192 | US11358936, Compound 1-41)
Show SMILES NCc1ccnc(Oc2cccc(c2)C(=O)N2CCc3ccccc3C2)c1
Show InChI InChI=1S/C22H21N3O2/c23-14-16-8-10-24-21(12-16)27-20-7-3-6-18(13-20)22(26)25-11-9-17-4-1-2-5-19(17)15-25/h1-8,10,12-13H,9,11,14-15,23H2
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n/an/a 120n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266783
PNG
(CHEMBL4086010)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H16FN3O2/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18/h1-11H,12,21H2,(H,23,24)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266783
PNG
(CHEMBL4086010)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C19H16FN3O2/c20-15-4-6-16(7-5-15)23-19(24)14-2-1-3-17(11-14)25-18-10-13(12-21)8-9-22-18/h1-11H,12,21H2,(H,23,24)
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n/an/a 130n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266789
PNG
(CHEMBL4088453)
Show SMILES Cl.NCc1ccnc(Oc2cccc(c2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C19H17N3O2/c20-13-14-9-10-21-18(11-14)24-17-8-4-5-15(12-17)19(23)22-16-6-2-1-3-7-16/h1-12H,13,20H2,(H,22,23)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266821
PNG
(CHEMBL4087273 | US11072585, Example 34)
Show SMILES NCc1cc(O[C@H]2CCCN(C2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27)/t15-/m0/s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266826
PNG
(CHEMBL4105137)
Show SMILES Cl.CONC(=O)c1cccc(Oc2cc(CN)cc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C15H14F3N3O3/c1-23-21-14(22)10-3-2-4-11(7-10)24-13-6-9(8-19)5-12(20-13)15(16,17)18/h2-7H,8,19H2,1H3,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266839
PNG
(CHEMBL4071963)
Show SMILES Cl.NCc1cc(Oc2cccc(c2)C(=O)N2CC[C@@H](O)C2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)15-6-11(9-22)7-16(23-15)27-14-3-1-2-12(8-14)17(26)24-5-4-13(25)10-24;/h1-3,6-8,13,25H,4-5,9-10,22H2;1H/t13-;/m1./s1
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n/an/a 150n/an/an/an/an/an/a



PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266821
PNG
(CHEMBL4087273 | US11072585, Example 34)
Show SMILES NCc1cc(O[C@H]2CCCN(C2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N4O2/c20-19(21,22)16-9-13(11-23)10-17(25-16)28-15-7-4-8-26(12-15)18(27)24-14-5-2-1-3-6-14/h1-3,5-6,9-10,15H,4,7-8,11-12,23H2,(H,24,27)/t15-/m0/s1
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50143347
PNG
(CHEMBL58047 | N*1*,N*1*-Diethyl-N*4*-(1,2,3,4,5,6,...)
Show SMILES CCN(CC)CCCC(C)Nc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266825
PNG
(CHEMBL4085053)
Show SMILES Cl.Cl.NCc1ccnc(Oc2cccc(c2)C(=O)NCc2ccc(cc2)C(N)=N)c1
Show InChI InChI=1S/C21H21N5O2/c22-12-15-8-9-25-19(10-15)28-18-3-1-2-17(11-18)21(27)26-13-14-4-6-16(7-5-14)20(23)24/h1-11H,12-13,22H2,(H3,23,24)(H,26,27)
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PharmAkea Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of human LOXL2 expressed in CHO cells assessed as reduction of H2O2 production from oxidative deamination of DAP preincubated for 2 hrs fo...


J Med Chem 60: 4403-4423 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00345
BindingDB Entry DOI: 10.7270/Q2QV3Q0K
More data for this
Ligand-Target Pair
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