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Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase, copper containing'   
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)


(Rattus norvegicus (Rat))
BDBM228079
PNG
(US9556160, ex 126)
Show SMILES COc1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C19H23FN6O3/c1-28-19-23-10-14(11-24-19)25-5-7-26(8-6-25)15-4-2-3-13(18(15)20)12-29-17(27)9-16(21)22/h2-4,10-11H,5-9,12H2,1H3,(H3,21,22)
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n/an/a 0.530n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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n/an/a 0.810n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228098
PNG
(US9556160, ex 559 | US9556160, ex 567)
Show SMILES CC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H27FN4O3/c1-13(26)24-7-5-14(6-8-24)16-10-25(11-16)17-4-2-3-15(20(17)21)12-28-19(27)9-18(22)23/h2-4,14,16H,5-12H2,1H3,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228087
PNG
(US9556160, ex 316)
Show SMILES COC1CN(C1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H28FN7O3/c1-32-17-12-30(13-17)22-26-10-16(11-27-22)28-5-7-29(8-6-28)18-4-2-3-15(21(18)23)14-33-20(31)9-19(24)25/h2-4,10-11,17H,5-9,12-14H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228083
PNG
(US9556160, ex 273)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)C(=O)CC2CCOCC2)c1F
Show InChI InChI=1S/C21H29FN4O4/c22-21-16(14-30-20(28)13-18(23)24)2-1-3-17(21)25-6-8-26(9-7-25)19(27)12-15-4-10-29-11-5-15/h1-3,15H,4-14H2,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228093
PNG
(US9556160, ex 554)
Show SMILES COCc1ccc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-5-6-17(12-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)11-19(23)24/h2-6,12H,7-11,13-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228084
PNG
(US9556160, ex 293)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cccnc2)c1F
Show InChI InChI=1S/C19H22FN5O2/c20-19-14(13-27-18(26)11-17(21)22)3-1-5-16(19)25-9-7-24(8-10-25)15-4-2-6-23-12-15/h1-6,12H,7-11,13H2,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228082
PNG
(US9556160, ex 220)
Show SMILES CC(=O)N1CCC(CC1)OC1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H31FN4O4/c1-15(28)26-9-5-17(6-10-26)31-18-7-11-27(12-8-18)19-4-2-3-16(22(19)23)14-30-21(29)13-20(24)25/h2-4,17-18H,5-14H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228072
PNG
(US9556160, ex 63)
Show SMILES COC1CN(C1)c1ncc(cn1)-c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C18H20FN5O3/c1-26-13-8-24(9-13)18-22-6-12(7-23-18)14-4-2-3-11(17(14)19)10-27-16(25)5-15(20)21/h2-4,6-7,13H,5,8-10H2,1H3,(H3,20,21)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228105
PNG
(US9556160, ex 566)
Show SMILES COCc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-14-16-11-17(5-6-25-16)26-7-9-27(10-8-26)18-4-2-3-15(21(18)22)13-30-20(28)12-19(23)24/h2-6,11H,7-10,12-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228097
PNG
(US9556160, ex 558)
Show SMILES COCc1cncc(c1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H26FN5O3/c1-29-13-15-9-17(12-25-11-15)26-5-7-27(8-6-26)18-4-2-3-16(21(18)22)14-30-20(28)10-19(23)24/h2-4,9,11-12H,5-8,10,13-14H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228095
PNG
(US9556160, ex 556)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2ccn3ccnc3c2)c1F
Show InChI InChI=1S/C21H23FN6O2/c22-21-15(14-30-20(29)13-18(23)24)2-1-3-17(21)27-10-8-26(9-11-27)16-4-6-28-7-5-25-19(28)12-16/h1-7,12H,8-11,13-14H2,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228099
PNG
(US9556160, ex 560)
Show SMILES CCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O3/c1-2-19(27)25-8-6-14(7-9-25)16-11-26(12-16)17-5-3-4-15(21(17)22)13-29-20(28)10-18(23)24/h3-5,14,16H,2,6-13H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228077
PNG
(US9556160, ex 110)
Show SMILES CC1(O)CCN(CC1)c1ncc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C24H32FN7O3/c1-24(34)5-7-32(8-6-24)23-28-14-18(15-29-23)30-9-11-31(12-10-30)19-4-2-3-17(22(19)25)16-35-21(33)13-20(26)27/h2-4,14-15,34H,5-13,16H2,1H3,(H3,26,27)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228101
PNG
(US9556160, ex 562)
Show SMILES COCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O4/c1-29-13-19(27)25-7-5-14(6-8-25)16-10-26(11-16)17-4-2-3-15(21(17)22)12-30-20(28)9-18(23)24/h2-4,14,16H,5-13H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228102
PNG
(US9556160, ex 563)
Show SMILES COCCC(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H31FN4O4/c1-30-10-7-20(28)26-8-5-15(6-9-26)17-12-27(13-17)18-4-2-3-16(22(18)23)14-31-21(29)11-19(24)25/h2-4,15,17H,5-14H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228103
PNG
(US9556160, ex 564)
Show SMILES CS(=O)(=O)N1CCC(CC1)C1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C19H27FN4O4S/c1-29(26,27)24-7-5-13(6-8-24)15-10-23(11-15)16-4-2-3-14(19(16)20)12-28-18(25)9-17(21)22/h2-4,13,15H,5-12H2,1H3,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228100
PNG
(US9556160, ex 561)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CC(C2)C2CCN(CC2)C(=O)C2CC2)c1F
Show InChI InChI=1S/C22H29FN4O3/c23-21-16(13-30-20(28)10-19(24)25)2-1-3-18(21)27-11-17(12-27)14-6-8-26(9-7-14)22(29)15-4-5-15/h1-3,14-15,17H,4-13H2,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228096
PNG
(US9556160, ex 557)
Show SMILES Cn1cc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)ccc1=O
Show InChI InChI=1S/C19H21FN4O4/c1-23-8-13(5-6-17(23)25)28-14-9-24(10-14)15-4-2-3-12(19(15)20)11-27-18(26)7-16(21)22/h2-6,8,14H,7,9-11H2,1H3,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228078
PNG
(US9556160, ex 118)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(CC2)c2cnc(nc2)N2CC[C@@H](F)C2)c1F
Show InChI InChI=1S/C22H27F2N7O2/c23-16-4-5-31(13-16)22-27-11-17(12-28-22)29-6-8-30(9-7-29)18-3-1-2-15(21(18)24)14-33-20(32)10-19(25)26/h1-3,11-12,16H,4-10,13-14H2,(H3,25,26)/t16-/m1/s1
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184850
PNG
(CHEMBL534938 | N'-[2-(4-fluorophenyl)allyl]-N-meth...)
Show SMILES CNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C10H13FN2/c1-8(7-13-12-2)9-3-5-10(11)6-4-9/h3-6,12-13H,1,7H2,2H3
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Article
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n/an/a 1.70n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228071
PNG
(US9556160, ex 52)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCC(CC2)c2ccncc2)c1F
Show InChI InChI=1S/C20H23FN4O2/c21-20-16(13-27-19(26)12-18(22)23)2-1-3-17(20)25-10-6-15(7-11-25)14-4-8-24-9-5-14/h1-5,8-9,15H,6-7,10-13H2,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228085
PNG
(US9556160, ex 300)
Show SMILES Cc1ccc(cn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C20H24FN5O2/c1-14-5-6-16(12-24-14)25-7-9-26(10-8-25)17-4-2-3-15(20(17)21)13-28-19(27)11-18(22)23/h2-6,12H,7-11,13H2,1H3,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228073
PNG
(US9556160, ex 74)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)C2CC2)nc1
Show InChI InChI=1S/C24H28FN5O4/c25-22-17(14-33-21(31)10-20(26)27)2-1-3-19(22)18-11-28-24(29-12-18)34-13-15-6-8-30(9-7-15)23(32)16-4-5-16/h1-3,11-12,15-16H,4-10,13-14H2,(H3,26,27)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228090
PNG
(US9556160, ex 551)
Show SMILES CCC(=O)N1CCC(CC1)OC1CN(C1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C21H29FN4O4/c1-2-19(27)25-8-6-15(7-9-25)30-16-11-26(12-16)17-5-3-4-14(21(17)22)13-29-20(28)10-18(23)24/h3-5,15-16H,2,6-13H2,1H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228075
PNG
(US9556160, ex 83)
Show SMILES CC(=O)Nc1nc(CCc2cccc(CCC(=O)CC(N)=N)c2)cs1
Show InChI InChI=1S/C18H22N4O2S/c1-12(23)21-18-22-15(11-25-18)7-5-13-3-2-4-14(9-13)6-8-16(24)10-17(19)20/h2-4,9,11H,5-8,10H2,1H3,(H3,19,20)(H,21,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228070
PNG
(US9556160, ex 29)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(OCC2CCN(CC2)C(=O)c2cccnc2)nc1
Show InChI InChI=1S/C26H27FN6O4/c27-24-19(16-36-23(34)11-22(28)29)3-1-5-21(24)20-13-31-26(32-14-20)37-15-17-6-9-33(10-7-17)25(35)18-4-2-8-30-12-18/h1-5,8,12-14,17H,6-7,9-11,15-16H2,(H3,28,29)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228089
PNG
(US9556160, ex 335)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCN(CC1)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C27H29FN6O4/c28-26-19(17-38-25(37)14-23(29)30)2-1-3-22(26)20-15-31-27(32-16-20)34-12-10-33(11-13-34)21-7-4-18(5-8-21)6-9-24(35)36/h1-5,7-8,15-16H,6,9-14,17H2,(H3,29,30)(H,35,36)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184849
PNG
(CHEMBL536057 | N'-(2-phenylallyl)hydrazine hydroch...)
Show SMILES NNCC(=C)c1ccccc1
Show InChI InChI=1S/C9H12N2/c1-8(7-11-10)9-5-3-2-4-6-9/h2-6,11H,1,7,10H2
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228080
PNG
(US9556160, ex 157)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C16H23FN4O4S/c1-2-26(23,24)21-8-6-20(7-9-21)13-5-3-4-12(16(13)17)11-25-15(22)10-14(18)19/h3-5H,2,6-11H2,1H3,(H3,18,19)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228069
PNG
(US9556160, ex 11)
Show SMILES CC(=O)N1CCC(COc2ncc(cn2)-c2cccc(COC(=O)NC(N)=N)c2F)CC1
Show InChI InChI=1S/C21H25FN6O4/c1-13(29)28-7-5-14(6-8-28)11-31-20-25-9-16(10-26-20)17-4-2-3-15(18(17)22)12-32-21(30)27-19(23)24/h2-4,9-10,14H,5-8,11-12H2,1H3,(H4,23,24,27,30)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184847
PNG
(CHEMBL538327 | N'-[2-(4-fluorophenyl)allyl]-N-ethy...)
Show SMILES CCNNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C11H15FN2/c1-3-13-14-8-9(2)10-4-6-11(12)7-5-10/h4-7,13-14H,2-3,8H2,1H3
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228104
PNG
(US9556160, ex 565)
Show SMILES COCCOc1cc(ccn1)N1CCN(CC1)c1cccc(COC(=O)CC(N)=N)c1F
Show InChI InChI=1S/C22H28FN5O4/c1-30-11-12-31-20-13-17(5-6-26-20)27-7-9-28(10-8-27)18-4-2-3-16(22(18)23)15-32-21(29)14-19(24)25/h2-6,13H,7-12,14-15H2,1H3,(H3,24,25)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228076
PNG
(US9556160, ex 105)
Show SMILES CC(=O)N1CCC(COc2ncc(cn2)-c2cccc(CCC(=O)CC(N)=N)c2F)CC1
Show InChI InChI=1S/C23H28FN5O3/c1-15(30)29-9-7-16(8-10-29)14-32-23-27-12-18(13-28-23)20-4-2-3-17(22(20)24)5-6-19(31)11-21(25)26/h2-4,12-13,16H,5-11,14H2,1H3,(H3,25,26)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184853
PNG
(CHEMBL536060 | N'-[2-(4-chlorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H11ClN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228092
PNG
(US9556160, ex 553)
Show SMILES COCc1ccc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)cn1
Show InChI InChI=1S/C20H23FN4O4/c1-27-12-14-5-6-15(8-24-14)29-16-9-25(10-16)17-4-2-3-13(20(17)21)11-28-19(26)7-18(22)23/h2-6,8,16H,7,9-12H2,1H3,(H3,22,23)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228094
PNG
(US9556160, ex 555)
Show SMILES Cc1cc(COC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)cc(C)n1
Show InChI InChI=1S/C21H25FN4O3/c1-13-6-15(7-14(2)25-13)11-28-17-9-26(10-17)18-5-3-4-16(21(18)22)12-29-20(27)8-19(23)24/h3-7,17H,8-12H2,1-2H3,(H3,23,24)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM128994
PNG
(US8802679, 75)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCCC1)C(=O)CN
Show InChI InChI=1S/C18H23N5O/c1-22(17(24)10-19)13-14-5-4-6-15(9-14)16-11-20-18(21-12-16)23-7-2-3-8-23/h4-6,9,11-12H,2-3,7-8,10,13,19H2,1H3
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228074
PNG
(US9556160, ex 81)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1F)-c1cnc(nc1)N1CCOCC1
Show InChI InChI=1S/C18H20FN5O3/c19-17-12(11-27-16(25)8-15(20)21)2-1-3-14(17)13-9-22-18(23-10-13)24-4-6-26-7-5-24/h1-3,9-10H,4-8,11H2,(H3,20,21)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184848
PNG
(CHEMBL553631 | N'-[2-(2-methylphenyl)allyl]hydrazi...)
Show SMILES Cc1ccccc1C(=C)CNN
Show InChI InChI=1S/C10H14N2/c1-8-5-3-4-6-10(8)9(2)7-12-11/h3-6,12H,2,7,11H2,1H3
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228081
PNG
(US9556160, ex 178)
Show SMILES NC(=N)CC(=O)OCc1cccc(c1)-c1cnc(nc1)N1CC[C@H](F)C1
Show InChI InChI=1S/C18H20FN5O2/c19-15-4-5-24(10-15)18-22-8-14(9-23-18)13-3-1-2-12(6-13)11-26-17(25)7-16(20)21/h1-3,6,8-9,15H,4-5,7,10-11H2,(H3,20,21)/t15-/m0/s1
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184843
PNG
(CHEMBL556769 | N'-[(E)-(2-phenyl-3-fluoroallyl)]hy...)
Show SMILES NNC\C(=C\F)c1ccccc1
Show InChI InChI=1S/C9H11FN2/c10-6-9(7-12-11)8-4-2-1-3-5-8/h1-6,12H,7,11H2/b9-6-
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La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50435711
PNG
(CHEMBL2392121)
Show SMILES CC(=O)Nc1nc(CCc2ccc(Cc3cnc(N)[nH]3)cc2)cs1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)20-17-22-14(10-24-17)7-6-12-2-4-13(5-3-12)8-15-9-19-16(18)21-15/h2-5,9-10H,6-8H2,1H3,(H3,18,19,21)(H,20,22,23)
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Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using [14C]-benzylamine as substrate preincubated for 30 mins prior to substrate addition measured aft...


Bioorg Med Chem 21: 3873-81 (2013)


Article DOI: 10.1016/j.bmc.2013.04.011
BindingDB Entry DOI: 10.7270/Q22B90DG
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM128992
PNG
(US8802679, 66)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(CCC(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H33N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-5,12-13,15-17H,6-11,14,18,28H2,1-2H3,(H,36,37)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228091
PNG
(US9556160, ex 552)
Show SMILES Cc1ccc(OC2CN(C2)c2cccc(COC(=O)CC(N)=N)c2F)cn1
Show InChI InChI=1S/C19H21FN4O3/c1-12-5-6-14(8-23-12)27-15-9-24(10-15)16-4-2-3-13(19(16)20)11-26-18(25)7-17(21)22/h2-6,8,15H,7,9-11H2,1H3,(H3,21,22)
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US Patent
n/an/a 5.5n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM129000
PNG
(US8802679, 95)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1Cc2cccnc2C1)C(=O)CN
Show InChI InChI=1S/C21H22N6O/c1-26(20(28)9-22)12-15-4-2-5-16(8-15)18-10-24-21(25-11-18)27-13-17-6-3-7-23-19(17)14-27/h2-8,10-11H,9,12-14,22H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50261815
PNG
(2-(3,4-dimethoxyphenyl)-3-fluoroprop-2-en-1-amine ...)
Show SMILES COc1ccc(cc1OC)C(\CN)=C/F
Show InChI InChI=1S/C11H14FNO2/c1-14-10-4-3-8(5-11(10)15-2)9(6-12)7-13/h3-6H,7,13H2,1-2H3/b9-6-
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n/an/a 6n/an/an/an/an/an/a



Universität Münster

Curated by ChEMBL


Assay Description
Inhibition of rat CAO


Bioorg Med Chem 16: 7148-66 (2008)


Article DOI: 10.1016/j.bmc.2008.06.048
BindingDB Entry DOI: 10.7270/Q2CN73QW
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM50184844
PNG
(CHEMBL536059 | N'-[2-(4-fluorophenyl)allyl]hydrazi...)
Show SMILES NNCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H11FN2/c1-7(6-12-11)8-2-4-9(10)5-3-8/h2-5,12H,1,6,11H2
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n/an/a 6.10n/an/an/an/an/an/a



La Jolla Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of SSAO in rat lung


J Med Chem 49: 2166-73 (2006)


Article DOI: 10.1021/jm050538l
BindingDB Entry DOI: 10.7270/Q2JM2BFH
More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM228086
PNG
(US9556160, ex 304)
Show SMILES NC(=N)CC(=O)OCc1cccc(N2CCN(C(=O)C2)c2cccnc2)c1F
Show InChI InChI=1S/C19H20FN5O3/c20-19-13(12-28-18(27)9-16(21)22)3-1-5-15(19)24-7-8-25(17(26)11-24)14-4-2-6-23-10-14/h1-6,10H,7-9,11-12H2,(H3,21,22)
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-1 enzyme (SSAO) (reference: Biol Pharm Bull. 2005 March; 28(3): 413-8) activity was measured by a radiochemistry-enzymatic assay using 14C-...


US Patent US9556160 (2017)

More data for this
Ligand-Target Pair
Vascular adhesion protein 1 (VAP-1)


(Rattus norvegicus (Rat))
BDBM128988
PNG
(US8802679, 19)
Show SMILES CN(Cc1cccc(c1)-c1cnc(nc1)N1CCN(CC1)c1ncc(\C=C\C(O)=O)cc1C)C(=O)CN
Show InChI InChI=1S/C27H31N7O3/c1-19-12-20(6-7-25(36)37)15-29-26(19)33-8-10-34(11-9-33)27-30-16-23(17-31-27)22-5-3-4-21(13-22)18-32(2)24(35)14-28/h3-7,12-13,15-17H,8-11,14,18,28H2,1-2H3,(H,36,37)/b7-6+
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Astellas Pharma Inc.

US Patent


Assay Description
A rat VAP-enzyme 1 (SSAO) activity was measured by a radiochemistry-enzymatic assay using 14C-benzylamine as an artificial substrate. An enzyme suspe...


US Patent US8802679 (2014)


BindingDB Entry DOI: 10.7270/Q2M61HZD
More data for this
Ligand-Target Pair
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