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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'araki' and Initial = 'm'   
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
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054109
PNG
(CHEMBL3319301)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
Show InChI InChI=1S/C20H30N4O4S2/c1-18(2,3)15(25)22-17-23-24(16(26)19(4,5)6)20(29-17,13-21-30(7,27)28)14-11-9-8-10-12-14/h8-12,21H,13H2,1-7H3,(H,22,23,25)
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n/an/a 44n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:6|
Show InChI InChI=1S/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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n/an/a 110n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054192
PNG
(CHEMBL3319304)
Show SMILES CC(C)C(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:6|
Show InChI InChI=1S/C20H30N4O4S2/c1-14(2)16(25)24-20(12-13-21-30(6,27)28,15-10-8-7-9-11-15)29-18(23-24)22-17(26)19(3,4)5/h7-11,14,21H,12-13H2,1-6H3,(H,22,23,26)
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n/an/a 110n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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n/an/a 111n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054187
PNG
(CHEMBL3319303)
Show SMILES CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1 |t:5|
Show InChI InChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
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n/an/a 111n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054136
PNG
(CHEMBL3319302)
Show SMILES CC(C)(C)C(=O)NC1=NN(C(=O)C(C)(C)C)C(CCNS(C)(=O)=O)(S1)c1ccccc1 |t:7|
Show InChI InChI=1S/C21H32N4O4S2/c1-19(2,3)16(26)23-18-24-25(17(27)20(4,5)6)21(30-18,13-14-22-31(7,28)29)15-11-9-8-10-12-15/h8-12,22H,13-14H2,1-7H3,(H,23,24,26)
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n/an/a 120n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158866
PNG
(CHEMBL3785355)
Show SMILES Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Show InChI InChI=1S/C35H36ClN3O2/c36-30-15-9-10-25(22-30)24-38-35(41)32(16-7-8-21-37-33-23-31(33)28-13-5-2-6-14-28)39-34(40)29-19-17-27(18-20-29)26-11-3-1-4-12-26/h1-6,9-15,17-20,22,31-33,37H,7-8,16,21,23-24H2,(H,38,41)(H,39,40)/t31-,32-,33+/m0/s1
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n/an/a 132n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 using H3K4me2 peptide as substrate measured after 30 mins by fluorescence assay


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50054108
PNG
(CHEMBL3356912)
Show SMILES CC(C)CC(=O)NC1=NN(C(=O)CC(C)C)C(C)(S1)c1ccccc1 |t:7|
Show InChI InChI=1S/C19H27N3O2S/c1-13(2)11-16(23)20-18-21-22(17(24)12-14(3)4)19(5,25-18)15-9-7-6-8-10-15/h6-10,13-14H,11-12H2,1-5H3,(H,20,21,23)
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n/an/a 520n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50460073
PNG
(CHEMBL4227224)
Show SMILES Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
Show InChI InChI=1S/C37H38ClN3O2/c38-31-15-9-10-27(24-31)26-40-22-23-41(32-19-17-29(18-20-32)28-11-3-1-4-12-28)37(43)33(36(40)42)16-7-8-21-39-35-25-34(35)30-13-5-2-6-14-30/h1-6,9-15,17-20,24,33-35,39H,7-8,16,21-23,25-26H2/t33?,34-,35+/m0/s1
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n/an/a 622n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 using H3K4me2 peptide as substrate measured after 30 mins by fluorescence assay


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50431886
PNG
(CHEMBL1413473)
Show SMILES CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 |t:4|
Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Kyowa Hakko Kirin Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Eg5 (unknown origin)


Bioorg Med Chem Lett 24: 3961-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.034
BindingDB Entry DOI: 10.7270/Q2DF6SVT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50009200
PNG
(CHEMBL3238374)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C30H30N8O4/c1-36-23(15-20-17-33-27(35-28(20)36)29(40)34-21(16-32)7-5-6-14-31)18-38-26(39)19-37(30(38)41)22-10-12-25(13-11-22)42-24-8-3-2-4-9-24/h2-4,8-13,15,17,21H,5-7,14,18-19,31H2,1H3,(H,34,40)/t21-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093550
PNG
(CHEMBL3585737)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc3oc(=O)n(Cc4ccncc4)c3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H30N10O5/c1-38-23(12-20-15-35-27(37-28(20)38)29(43)36-21(14-33)4-2-3-9-32)17-41-26(42)18-39(30(41)44)22-5-6-25-24(13-22)40(31(45)46-25)16-19-7-10-34-11-8-19/h5-8,10-13,15,21H,2-4,9,16-18,32H2,1H3,(H,36,43)/t21-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093544
PNG
(CHEMBL3585744)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H31N7O4/c1-36-27-17-21(30(40)34-22(18-33)7-5-6-16-32)10-15-26(27)35-28(36)19-38-29(39)20-37(31(38)41)23-11-13-25(14-12-23)42-24-8-3-2-4-9-24/h2-4,8-15,17,22H,5-7,16,19-20,32H2,1H3,(H,34,40)/t22-/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093552
PNG
(CHEMBL3585735)
Show SMILES CCCn1c2cc(ccc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|
Show InChI InChI=1S/C28H31N9O5/c1-3-10-35-21-12-19(7-8-22(21)42-28(35)41)36-16-23(38)37(27(36)40)15-20-11-17-14-31-24(33-25(17)34(20)2)26(39)32-18(13-30)6-4-5-9-29/h7-8,11-12,14,18H,3-6,9-10,15-16,29H2,1-2H3,(H,32,39)/t18-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093551
PNG
(CHEMBL3585736)
Show SMILES CC(C)Cn1c2cc(ccc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|
Show InChI InChI=1S/C29H33N9O5/c1-17(2)14-37-22-11-20(7-8-23(22)43-29(37)42)36-16-24(39)38(28(36)41)15-21-10-18-13-32-25(34-26(18)35(21)3)27(40)33-19(12-31)6-4-5-9-30/h7-8,10-11,13,17,19H,4-6,9,14-16,30H2,1-3H3,(H,33,40)/t19-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50009171
PNG
(CHEMBL3238362)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C24H25FN8O3/c1-31-19(13-33-20(34)14-32(24(33)36)18-7-5-16(25)6-8-18)10-15-12-28-21(30-22(15)31)23(35)29-17(11-27)4-2-3-9-26/h5-8,10,12,17H,2-4,9,13-14,26H2,1H3,(H,29,35)/t17-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093553
PNG
(CHEMBL3585734)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc3oc(=O)n(C)c3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C26H27N9O5/c1-32-18(9-15-12-29-22(31-23(15)32)24(37)30-16(11-28)5-3-4-8-27)13-35-21(36)14-34(25(35)38)17-6-7-20-19(10-17)33(2)26(39)40-20/h6-7,9-10,12,16H,3-5,8,13-14,27H2,1-2H3,(H,30,37)/t16-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093540
PNG
(CHEMBL3585746)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C30H30N8O4/c1-36-26-16-20(29(40)34-21(17-32)4-2-3-13-31)5-10-25(26)35-27(36)18-38-28(39)19-37(30(38)41)22-6-8-23(9-7-22)42-24-11-14-33-15-12-24/h5-12,14-16,21H,2-4,13,18-19,31H2,1H3,(H,34,40)/t21-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093541
PNG
(CHEMBL3585745)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C29H29N9O4/c1-36-22(14-19-16-33-26(35-27(19)36)28(40)34-20(15-31)4-2-3-11-30)17-38-25(39)18-37(29(38)41)21-5-7-23(8-6-21)42-24-9-12-32-13-10-24/h5-10,12-14,16,20H,2-4,11,17-18,30H2,1H3,(H,34,40)/t20-/m0/s1
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n/an/a 7.40E+4n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of urokinase (unknown origin) using Pyr-Gly-Arg-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r|
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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n/an/a 8.07E+4n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human LSD1 using H3K4me2 peptide as substrate measured after 30 mins by fluorescence assay


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093542
PNG
(CHEMBL3585742)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C25H26FN7O3/c1-31-21-12-16(24(35)29-18(13-28)4-2-3-11-27)5-10-20(21)30-22(31)14-33-23(34)15-32(25(33)36)19-8-6-17(26)7-9-19/h5-10,12,18H,2-4,11,14-15,27H2,1H3,(H,29,35)/t18-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50158866
PNG
(CHEMBL3785355)
Show SMILES Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Show InChI InChI=1S/C35H36ClN3O2/c36-30-15-9-10-25(22-30)24-38-35(41)32(16-7-8-21-37-33-23-31(33)28-13-5-2-6-14-28)39-34(40)29-19-17-27(18-20-29)26-11-3-1-4-12-26/h1-6,9-15,17-20,22,31-33,37H,7-8,16,21,23-24H2,(H,38,41)(H,39,40)/t31-,32-,33+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50460073
PNG
(CHEMBL4227224)
Show SMILES Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
Show InChI InChI=1S/C37H38ClN3O2/c38-31-15-9-10-27(24-31)26-40-22-23-41(32-19-17-29(18-20-32)28-11-3-1-4-12-28)37(43)33(36(40)42)16-7-8-21-39-35-25-34(35)30-13-5-2-6-14-30/h1-6,9-15,17-20,24,33-35,39H,7-8,16,21-23,25-26H2/t33?,34-,35+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50158866
PNG
(CHEMBL3785355)
Show SMILES Clc1cccc(CNC(=O)[C@H](CCCCN[C@@H]2C[C@H]2c2ccccc2)NC(=O)c2ccc(cc2)-c2ccccc2)c1 |r|
Show InChI InChI=1S/C35H36ClN3O2/c36-30-15-9-10-25(22-30)24-38-35(41)32(16-7-8-21-37-33-23-31(33)28-13-5-2-6-14-28)39-34(40)29-19-17-27(18-20-29)26-11-3-1-4-12-26/h1-6,9-15,17-20,22,31-33,37H,7-8,16,21,23-24H2,(H,38,41)(H,39,40)/t31-,32-,33+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50460073
PNG
(CHEMBL4227224)
Show SMILES Clc1cccc(CN2CCN(c3ccc(cc3)-c3ccccc3)C(=O)C(CCCCN[C@@H]3C[C@H]3c3ccccc3)C2=O)c1 |r|
Show InChI InChI=1S/C37H38ClN3O2/c38-31-15-9-10-27(24-31)26-40-22-23-41(32-19-17-29(18-20-32)28-11-3-1-4-12-28)37(43)33(36(40)42)16-7-8-21-39-35-25-34(35)30-13-5-2-6-14-30/h1-6,9-15,17-20,24,33-35,39H,7-8,16,21-23,25-26H2/t33?,34-,35+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazol...


Bioorg Med Chem 26: 775-785 (2018)


Article DOI: 10.1016/j.bmc.2017.12.045
BindingDB Entry DOI: 10.7270/Q28W3GX3
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093549
PNG
(CHEMBL3585738)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc3n(C)c(=O)oc3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C26H27N9O5/c1-32-18(9-15-12-29-22(31-23(15)32)24(37)30-16(11-28)5-3-4-8-27)13-35-21(36)14-34(25(35)38)17-6-7-19-20(10-17)40-26(39)33(19)2/h6-7,9-10,12,16H,3-5,8,13-14,27H2,1-2H3,(H,30,37)/t16-/m0/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093548
PNG
(CHEMBL3585739)
Show SMILES CCCn1c2ccc(cc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|
Show InChI InChI=1S/C28H31N9O5/c1-3-10-35-21-8-7-19(12-22(21)42-28(35)41)36-16-23(38)37(27(36)40)15-20-11-17-14-31-24(33-25(17)34(20)2)26(39)32-18(13-30)6-4-5-9-29/h7-8,11-12,14,18H,3-6,9-10,15-16,29H2,1-2H3,(H,32,39)/t18-/m0/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50093541
PNG
(CHEMBL3585745)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C29H29N9O4/c1-36-22(14-19-16-33-26(35-27(19)36)28(40)34-20(15-31)4-2-3-11-30)17-38-25(39)18-37(29(38)41)21-5-7-23(8-6-21)42-24-9-12-32-13-10-24/h5-10,12-14,16,20H,2-4,11,17-18,30H2,1H3,(H,34,40)/t20-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50093540
PNG
(CHEMBL3585746)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccncc3)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C30H30N8O4/c1-36-26-16-20(29(40)34-21(17-32)4-2-3-13-31)5-10-25(26)35-27(36)18-38-28(39)19-37(30(38)41)22-6-8-23(9-7-22)42-24-11-14-33-15-12-24/h5-12,14-16,21H,2-4,13,18-19,31H2,1H3,(H,34,40)/t21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50009200
PNG
(CHEMBL3238374)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C30H30N8O4/c1-36-23(15-20-17-33-27(35-28(20)36)29(40)34-21(16-32)7-5-6-14-31)18-38-26(39)19-37(30(38)41)22-10-12-25(13-11-22)42-24-8-3-2-4-9-24/h2-4,8-13,15,17,21H,5-7,14,18-19,31H2,1H3,(H,34,40)/t21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50093542
PNG
(CHEMBL3585742)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)nc2ccc(cc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C25H26FN7O3/c1-31-21-12-16(24(35)29-18(13-28)4-2-3-11-27)5-10-20(21)30-22(31)14-33-23(34)15-32(25(33)36)19-8-6-17(26)7-9-19/h5-10,12,18H,2-4,11,14-15,27H2,1H3,(H,29,35)/t18-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093547
PNG
(CHEMBL3585740)
Show SMILES CC(C)Cn1c2ccc(cc2oc1=O)N1CC(=O)N(Cc2cc3cnc(nc3n2C)C(=O)N[C@@H](CCCCN)C#N)C1=O |r|
Show InChI InChI=1S/C29H33N9O5/c1-17(2)14-37-22-8-7-20(11-23(22)43-29(37)42)36-16-24(39)38(28(36)41)15-21-10-18-13-32-25(34-26(18)35(21)3)27(40)33-19(12-31)6-4-5-9-30/h7-8,10-11,13,17,19H,4-6,9,14-16,30H2,1-3H3,(H,33,40)/t19-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093545
PNG
(CHEMBL3585743)
Show SMILES NCCCC[C@H](NC(=O)c1nc2cc(CN3C(=O)CN(C3=O)c3ccc(F)cc3)ccc2o1)C#N |r|
Show InChI InChI=1S/C24H23FN6O4/c25-16-5-7-18(8-6-16)30-14-21(32)31(24(30)34)13-15-4-9-20-19(11-15)29-23(35-20)22(33)28-17(12-27)3-1-2-10-26/h4-9,11,17H,1-3,10,13-14,26H2,(H,28,33)/t17-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093546
PNG
(CHEMBL3585741)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc3n(Cc4ccncc4)c(=O)oc3c2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H30N10O5/c1-38-23(12-20-15-35-27(37-28(20)38)29(43)36-21(14-33)4-2-3-9-32)17-41-26(42)18-39(30(41)44)22-5-6-24-25(13-22)46-31(45)40(24)16-19-7-10-34-11-8-19/h5-8,10-13,15,21H,2-4,9,16-18,32H2,1H3,(H,36,43)/t21-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093543
PNG
(CHEMBL3585747)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(Oc3ccccc3)cc2)nc2cc(ccc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C31H31N7O4/c1-36-27-15-10-21(30(40)34-22(18-33)7-5-6-16-32)17-26(27)35-28(36)19-38-29(39)20-37(31(38)41)23-11-13-25(14-12-23)42-24-8-3-2-4-9-24/h2-4,8-15,17,22H,5-7,16,19-20,32H2,1H3,(H,34,40)/t22-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50009171
PNG
(CHEMBL3238362)
Show SMILES Cn1c(CN2C(=O)CN(C2=O)c2ccc(F)cc2)cc2cnc(nc12)C(=O)N[C@@H](CCCCN)C#N |r|
Show InChI InChI=1S/C24H25FN8O3/c1-31-19(13-33-20(34)14-32(24(33)36)18-7-5-16(25)6-8-18)10-15-12-28-21(30-22(15)31)23(35)29-17(11-27)4-2-3-9-26/h5-8,10,12,17H,2-4,9,13-14,26H2,1H3,(H,29,35)/t17-/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of plasmin (unknown origin) using Boc-Val-Leu-Lys-MCA as substrate by fluorescence analysis


Bioorg Med Chem 23: 3696-704 (2015)


Article DOI: 10.1016/j.bmc.2015.04.013
BindingDB Entry DOI: 10.7270/Q2X92D2Q
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50203072
PNG
(3-isothiocyanatoprop-1-ene | Allyl isothiocyanate ...)
Show SMILES C=CCN=C=S
Show InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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n/an/an/an/a 8.12E+3n/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Agonist activity at TRPA1 (unknown origin)


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2020.127142
BindingDB Entry DOI: 10.7270/Q29C720P
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548720
PNG
(CHEBI:42438 | CHEMBL1232595)
Show SMILES COc1cc(C=C)ccc1O
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n/an/an/an/a 8.28E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM36301
PNG
(2-Chlorophenol (2-CP) | 2-chlorophenol)
Show SMILES Oc1ccccc1Cl
Show InChI InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
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n/an/an/an/a 5.01E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548721
PNG
(CHEMBL3186900)
Show SMILES CCc1ccc(O)c(OC)c1
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n/an/an/an/a 1.01E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548722
PNG
(CHEMBL1490403)
Show SMILES Cc1cccc(O)c1C
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n/an/an/an/a 8.60E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548725
PNG
(3-Methylcatechol | CHEBI:18404 | CHEMBL1173328)
Show SMILES Cc1cccc(O)c1O
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n/an/an/an/a 2.83E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548723
PNG
(CHEBI:17254 | CHEMBL158766)
Show SMILES Cc1ccc(O)c(O)c1
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n/an/an/an/a 1.17E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50094702
PNG
(1H-indole | CHEMBL15844 | Indol | Indole, 7 | indo...)
Show SMILES c1cc2ccccc2[nH]1
Show InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
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n/an/an/an/a 7.52E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50164168
PNG
(1,3,4-Eugenol | 1-Hydroxy-2-methoxy-4-allylbenzene...)
Show SMILES COc1cc(CC=C)ccc1O
Show InChI InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
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n/an/an/an/a 1.16E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50548724
PNG
(CHEBI:50545 | CHEMBL193598)
Show SMILES COc1cc(\C=C\C)ccc1O
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n/an/an/an/a 1.49E+5n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50240432
PNG
(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Show SMILES CC(C)c1ccc(C)cc1O
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
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n/an/an/an/a 8.69E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Homo sapiens (Human))
BDBM50483042
PNG
(CHEMBL1276241)
Show SMILES CCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
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n/an/an/an/a 8.69E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at TRPA1 (unknown origin) by calcium imaging assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127639
BindingDB Entry DOI: 10.7270/Q2S46WKS
More data for this
Ligand-Target Pair