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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'akabane' and Initial = 't'   
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
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM220866
PNG
(US9302986, 23)
Show SMILES CC(C)(C)NC(=O)c1ccc(OC\C(CN)=C\F)cc1
Show InChI InChI=1S/C15H21FN2O2/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17/h4-8H,9-10,17H2,1-3H3,(H,18,19)/b11-8+
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n/an/a 5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 using benzylamine as substrate incubated for 30 mins followed by substrate addition measured every 2.5 mins for...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50205269
PNG
(CHEMBL3919913)
Show SMILES Cl.NCC(=O)NCc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O.ClH/c16-10-15(18)17-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13;/h1-9H,10-11,16H2,(H,17,18);1H
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n/an/a 23n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50205316
PNG
(CHEMBL3923237)
Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CN
Show InChI InChI=1S/C20H25N3O2.C2H2O4/c1-22(20(24)14-21)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-9-11-25-12-10-23;3-1(4)2(5)6/h2-8,13H,9-12,14-15,21H2,1H3;(H,3,4)(H,5,6)
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n/an/a 36n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50205318
PNG
(CHEMBL3894903)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CN
Show InChI InChI=1S/C16H17ClN2O.ClH/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13;/h2-9H,10-11,18H2,1H3;1H
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n/an/a 53n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205302
PNG
(CHEMBL3964548)
Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(NC(=O)N2CCOCC2)cc1)C(=O)CN
Show InChI InChI=1S/C21H26N4O3.C2H2O4/c1-24(20(26)14-22)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-21(27)25-9-11-28-12-10-25;3-1(4)2(5)6/h2-8,13H,9-12,14-15,22H2,1H3,(H,23,27);(H,3,4)(H,5,6)
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n/an/a 83n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50205273
PNG
(CHEMBL3948293)
Show SMILES CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN
Show InChI InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205269
PNG
(CHEMBL3919913)
Show SMILES Cl.NCC(=O)NCc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C15H16N2O.ClH/c16-10-15(18)17-11-12-5-4-8-14(9-12)13-6-2-1-3-7-13;/h1-9H,10-11,16H2,(H,17,18);1H
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n/an/a 180n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205318
PNG
(CHEMBL3894903)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(Cl)cc1)C(=O)CN
Show InChI InChI=1S/C16H17ClN2O.ClH/c1-19(16(20)10-18)11-12-3-2-4-14(9-12)13-5-7-15(17)8-6-13;/h2-9H,10-11,18H2,1H3;1H
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n/an/a 240n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205327
PNG
(CHEMBL3941188)
Show SMILES OC(=O)C(O)=O.CN(C)C(=O)Nc1ccc(cc1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C19H24N4O2.C2H2O4/c1-22(2)19(25)21-17-9-7-15(8-10-17)16-6-4-5-14(11-16)13-23(3)18(24)12-20;3-1(4)2(5)6/h4-11H,12-13,20H2,1-3H3,(H,21,25);(H,3,4)(H,5,6)
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n/an/a 280n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205333
PNG
(CHEMBL3960949)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCN(C)CC1)C(=O)CN
Show InChI InChI=1S/C21H28N4O.C4H6O6/c1-23-10-12-25(13-11-23)20-8-6-18(7-9-20)19-5-3-4-17(14-19)16-24(2)21(26)15-22;5-1(3(7)8)2(6)4(9)10/h3-9,14H,10-13,15-16,22H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a 330n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205316
PNG
(CHEMBL3923237)
Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CN
Show InChI InChI=1S/C20H25N3O2.C2H2O4/c1-22(20(24)14-21)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-9-11-25-12-10-23;3-1(4)2(5)6/h2-8,13H,9-12,14-15,21H2,1H3;(H,3,4)(H,5,6)
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n/an/a 340n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205321
PNG
(CHEMBL3949944)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)CN
Show InChI InChI=1S/C21H25N3O3.C4H6O6/c1-23(20(25)14-22)15-16-3-2-4-19(13-16)17-5-7-18(8-6-17)21(26)24-9-11-27-12-10-24;5-1(3(7)8)2(6)4(9)10/h2-8,13H,9-12,14-15,22H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a 420n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205332
PNG
(CHEMBL3913195)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(NC(C)=O)cc1)C(=O)CN
Show InChI InChI=1S/C18H21N3O2.ClH/c1-13(22)20-17-8-6-15(7-9-17)16-5-3-4-14(10-16)12-21(2)18(23)11-19;/h3-10H,11-12,19H2,1-2H3,(H,20,22);1H
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n/an/a 460n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205271
PNG
(CHEMBL3932184)
Show SMILES Cl.Cl.CCN(CC)Cc1ccc(cc1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C21H29N3O.2ClH/c1-4-24(5-2)16-17-9-11-19(12-10-17)20-8-6-7-18(13-20)15-23(3)21(25)14-22;;/h6-13H,4-5,14-16,22H2,1-3H3;2*1H
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n/an/a 480n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205320
PNG
(CHEMBL3922197)
Show SMILES OC(=O)C(O)=O.CCN(CC)C(=O)c1ccc(cc1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C21H27N3O2.C2H2O4/c1-4-24(5-2)21(26)18-11-9-17(10-12-18)19-8-6-7-16(13-19)15-23(3)20(25)14-22;3-1(4)2(5)6/h6-13H,4-5,14-15,22H2,1-3H3;(H,3,4)(H,5,6)
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n/an/a 560n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205317
PNG
(CHEMBL3917228)
Show SMILES Cl.CCNC(=O)c1ccc(cc1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C19H23N3O2.ClH/c1-3-21-19(24)16-9-7-15(8-10-16)17-6-4-5-14(11-17)13-22(2)18(23)12-20;/h4-11H,3,12-13,20H2,1-2H3,(H,21,24);1H
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n/an/a 610n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205273
PNG
(CHEMBL3948293)
Show SMILES CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN
Show InChI InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205330
PNG
(CHEMBL3973099)
Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1cccc(Cl)c1)C(=O)CN
Show InChI InChI=1S/C16H17ClN2O.C2H2O4/c1-19(16(20)10-18)11-12-4-2-5-13(8-12)14-6-3-7-15(17)9-14;3-1(4)2(5)6/h2-9H,10-11,18H2,1H3;(H,3,4)(H,5,6)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205331
PNG
(CHEMBL3931119)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(cc1)C(N)=O)C(=O)CN
Show InChI InChI=1S/C17H19N3O2.ClH/c1-20(16(21)10-18)11-12-3-2-4-15(9-12)13-5-7-14(8-6-13)17(19)22;/h2-9H,10-11,18H2,1H3,(H2,19,22);1H
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n/an/a 1.60E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205328
PNG
(CHEMBL3924567)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CCN)Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H27N3O.C4H6O6/c1-22(10-9-21)16-17-3-2-4-19(15-17)18-5-7-20(8-6-18)23-11-13-24-14-12-23;5-1(3(7)8)2(6)4(9)10/h2-8,15H,9-14,16,21H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205325
PNG
(CHEMBL3915581)
Show SMILES Cl.NCC(=O)N1Cc2ccc(cc2C1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H23N3O2.ClH/c21-12-20(24)23-13-17-2-1-16(11-18(17)14-23)15-3-5-19(6-4-15)22-7-9-25-10-8-22;/h1-6,11H,7-10,12-14,21H2;1H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205322
PNG
(CHEMBL3895271)
Show SMILES OC(=O)C(O)=O.CN(C)c1ccc(cc1)-c1cccc(CN(C)C(=O)CN)c1
Show InChI InChI=1S/C18H23N3O.C2H2O4/c1-20(2)17-9-7-15(8-10-17)16-6-4-5-14(11-16)13-21(3)18(22)12-19;3-1(4)2(5)6/h4-11H,12-13,19H2,1-3H3;(H,3,4)(H,5,6)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205326
PNG
(CHEMBL3952254)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CCN
Show InChI InChI=1S/C21H27N3O2.C4H6O6/c1-23(21(25)9-10-22)16-17-3-2-4-19(15-17)18-5-7-20(8-6-18)24-11-13-26-14-12-24;5-1(3(7)8)2(6)4(9)10/h2-8,15H,9-14,16,22H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205319
PNG
(CHEMBL3905923)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccccc1Cl)C(=O)CN
Show InChI InChI=1S/C16H17ClN2O.ClH/c1-19(16(20)10-18)11-12-5-4-6-13(9-12)14-7-2-3-8-15(14)17;/h2-9H,10-11,18H2,1H3;1H
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n/an/a 4.10E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205270
PNG
(CHEMBL3976644)
Show SMILES Cl.CN(Cc1cccc(c1)-c1ccc(cc1)C(O)=O)C(=O)CN
Show InChI InChI=1S/C17H18N2O3.ClH/c1-19(16(20)10-18)11-12-3-2-4-15(9-12)13-5-7-14(8-6-13)17(21)22;/h2-9H,10-11,18H2,1H3,(H,21,22);1H
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n/an/a 1.40E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205324
PNG
(CHEMBL3985575)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(C)CC(=O)N(C)Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C22H29N3O2.C4H6O6/c1-23(2)17-22(26)24(3)16-18-5-4-6-20(15-18)19-7-9-21(10-8-19)25-11-13-27-14-12-25;5-1(3(7)8)2(6)4(9)10/h4-10,15H,11-14,16-17H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205323
PNG
(CHEMBL3933487)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CNCC(=O)N(C)Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H27N3O2.C4H6O6/c1-22-15-21(25)23(2)16-17-4-3-5-19(14-17)18-6-8-20(9-7-18)24-10-12-26-13-11-24;5-1(3(7)8)2(6)4(9)10/h3-9,14,22H,10-13,15-16H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205272
PNG
(CHEMBL3943540)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC(C)N(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)CN
Show InChI InChI=1S/C22H29N3O2.C4H6O6/c1-17(2)25(22(26)15-23)16-18-4-3-5-20(14-18)19-6-8-21(9-7-19)24-10-12-27-13-11-24;5-1(3(7)8)2(6)4(9)10/h3-9,14,17H,10-13,15-16,23H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205334
PNG
(CHEMBL3942461)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(cc1)N1CCOCC1)C(=O)C(C)(C)N
Show InChI InChI=1S/C22H29N3O2.C4H6O6/c1-22(2,23)21(26)24(3)16-17-5-4-6-19(15-17)18-7-9-20(10-8-18)25-11-13-27-14-12-25;5-1(3(7)8)2(6)4(9)10/h4-10,15H,11-14,16,23H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Homo sapiens (Human))
BDBM50205329
PNG
(CHEMBL3925681)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN(CCN)C(=O)c1cccc(c1)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H25N3O2.C4H6O6/c1-22(10-9-21)20(24)18-4-2-3-17(15-18)16-5-7-19(8-6-16)23-11-13-25-14-12-23;5-1(3(7)8)2(6)4(9)10/h2-8,15H,9-14,21H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair