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Compile Data Set for Download or QSAR

Found 599 hits with Last Name = 'calderon' and Initial = 'i'   
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
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50343442
PNG
(CHEMBL1775179 | isopropyl 4-(1-(2-fluoro-4-(methyl...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2n(ncc12)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C21H24FN5O5S/c1-13(2)31-21(28)26-8-6-14(7-9-26)32-20-16-11-25-27(19(16)23-12-24-20)18-5-4-15(10-17(18)22)33(3,29)30/h4-5,10-14H,6-9H2,1-3H3
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100n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 3134-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.007
BindingDB Entry DOI: 10.7270/Q24T6JQF
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM50041691
PNG
(CHEMBL3358920)
Show SMILES OC(=O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(c3)C(F)(F)F)cc21
Show InChI InChI=1/C26H26F3NO3/c27-26(28,29)22-11-15(5-8-19(22)16-3-1-2-4-16)14-33-18-7-10-23-21(13-18)20-9-6-17(12-24(31)32)25(20)30-23/h5,7-8,10-11,13,16-17,30H,1-4,6,9,12,14H2,(H,31,32)/t17-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Induction of internalization of HA-tagged human S1P1 receptor expressed in CHO cells


ACS Med Chem Lett 5: 1313-7 (2014)


Article DOI: 10.1021/ml500389m
BindingDB Entry DOI: 10.7270/Q29W0H4C
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.ClH/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);1H
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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)

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.ClH/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);1H
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n/an/a 35n/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)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50244398
PNG
(1-[6-(4-bromo-phenoxy)-5-nitro-pyrimidin-4-yl]-pip...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(Br)cc2)c1[N+]([O-])=O
Show InChI InChI=1S/C18H19BrN4O5/c1-2-27-18(24)12-7-9-22(10-8-12)16-15(23(25)26)17(21-11-20-16)28-14-5-3-13(19)4-6-14/h3-6,11-12H,2,7-10H2,1H3
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n/an/a 50n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inverse agonist activity at GPR119 (unknown origin) expressed in HEK293 cells assessed as cAMP level by flash plate assay


J Med Chem 51: 5172-5 (2008)


Article DOI: 10.1021/jm8006867
BindingDB Entry DOI: 10.7270/Q2KW5FVB
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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

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
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)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(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 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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266840
PNG
(CHEMBL4089707)
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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n/an/a 67n/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)

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
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)

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
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)

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
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)

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.ClH/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);1H
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PharmAkea Therapeutics

Curated by ChEMBL


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


J Med Chem 60: 4403-4423 (2017)

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.ClH/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);1H
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n/an/a 80n/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)

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.ClH/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);1H
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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)

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
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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(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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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)

More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50244851
PNG
(CHEMBL461765 | ethyl 1-(6-(1-methyl-3-(trifluorome...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc(Oc2cc(nn2C)C(F)(F)F)c1[N+]([O-])=O
Show InChI InChI=1S/C17H19F3N6O5/c1-3-30-16(27)10-4-6-25(7-5-10)14-13(26(28)29)15(22-9-21-14)31-12-8-11(17(18,19)20)23-24(12)2/h8-10H,3-7H2,1-2H3
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n/an/a 84n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inverse agonist activity at GPR119 (unknown origin) expressed in HEK293 cells assessed as cAMP level by flash plate assay


J Med Chem 51: 5172-5 (2008)


Article DOI: 10.1021/jm8006867
BindingDB Entry DOI: 10.7270/Q2KW5FVB
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
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)

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.ClH/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);1H
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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)

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
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)

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
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 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)

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
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)

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.ClH/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);1H
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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)

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
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)

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
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)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

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
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 120n/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266785
PNG
(CHEMBL4066192)
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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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)

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
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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PharmAkea Therapeutics

Curated by ChEMBL


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


J Med Chem 60: 4403-4423 (2017)

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.ClH/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);1H
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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)

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.ClH/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);1H
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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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266821
PNG
(CHEMBL4087273)
Show SMILES NCc1cc(O[C@H]2CCCN(C2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F
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)

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.ClH/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);1H
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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)

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
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)

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.ClH/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);1H
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PharmAkea Therapeutics

Curated by ChEMBL


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


J Med Chem 60: 4403-4423 (2017)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266821
PNG
(CHEMBL4087273)
Show SMILES NCc1cc(O[C@H]2CCCN(C2)C(=O)Nc2ccccc2)nc(c1)C(F)(F)F
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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266793
PNG
(CHEMBL4078119)
Show SMILES Cl.COCCNC(=O)c1cccc(Oc2cc(CN)ccn2)c1
Show InChI InChI=1S/C16H19N3O3.ClH/c1-21-8-7-19-16(20)13-3-2-4-14(10-13)22-15-9-12(11-17)5-6-18-15;/h2-6,9-10H,7-8,11,17H2,1H3,(H,19,20);1H
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 160n/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 15 mins ...


J Med Chem 60: 4403-4423 (2017)

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/C21H21N5O2.2ClH/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);2*1H
PDB

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UniChem

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PubMed
n/an/a 180n/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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


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

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

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PubMed
n/an/a 240n/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 15 mins ...


J Med Chem 60: 4403-4423 (2017)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266790
PNG
(CHEMBL4096173)
Show SMILES Cl.NCc1ccnc(Oc2ccc(cc2)C(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C19H17N3O2.ClH/c20-13-14-10-11-21-18(12-14)24-17-8-6-15(7-9-17)19(23)22-16-4-2-1-3-5-16;/h1-12H,13,20H2,(H,22,23);1H
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


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PubMed
n/an/a 270n/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)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50266840
PNG
(CHEMBL4089707)
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
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 270n/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)

More data for this
Ligand-Target Pair
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