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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'tada' 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
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of human Lyn


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of Fyn


Bioorg Med Chem Lett 19: 6557-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R1D
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50212288
PNG
((2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimida...)
Show SMILES [O-][N+](=O)NC1=NCCN1Cc1ccc(Cl)nc1 |t:4|
Show InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
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n/an/a 20n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 40n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutrophil elastase


(Homo sapiens (Human))
BDBM50080264
PNG
(1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...)
Show SMILES C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C
Show InChI InChI=1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29-,30-,32-,33-,36+,37-,38-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Fujisawa Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of Human Leukocyte Elastase (HLE) enzyme


Bioorg Med Chem Lett 9: 2397-402 (1999)


BindingDB Entry DOI: 10.7270/Q2319V2J
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50488029
PNG
((S)-METHYL-IMIDACLOPRID)
Show SMILES C[C@H](N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)/t7-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50488030
PNG
((R,S)-METHYL-IMIDACLOPRID)
Show SMILES CC(N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)
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n/an/a 210n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11319
PNG
((5-oxo-5,6-dihydroindolo[1,2-a]quinazolin-7-yl)ace...)
Show SMILES OC(=O)Cc1c2ccccc2n2c1[nH]c(=O)c1ccccc21
Show InChI InChI=1S/C17H12N2O3/c20-15(21)9-12-10-5-1-3-7-13(10)19-14-8-4-2-6-11(14)17(22)18-16(12)19/h1-8H,9H2,(H,18,22)(H,20,21)
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n/an/a 390n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 800n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11323
PNG
(4,5,6,7-tetrabromo-1H-1,2,3-benzotriazole | 4,5,6,...)
Show SMILES Brc1c(Br)c(Br)c2[nH]nnc2c1Br
Show InChI InChI=1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
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n/an/a 900n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50488028
PNG
((R)-METHYL-IMIDACLOPRID)
Show SMILES C[C@@H](N1CCN\C1=N/[N+]([O-])=O)c1ccc(Cl)nc1 |r|
Show InChI InChI=1S/C10H12ClN5O2/c1-7(8-2-3-9(11)13-6-8)15-5-4-12-10(15)14-16(17)18/h2-3,6-7H,4-5H2,1H3,(H,12,14)/t7-/m1/s1
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n/an/a 950n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11318
PNG
(1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9...)
Show SMILES Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1
Show InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM50143320
PNG
((+)-epibatidine | (-)-1-epidatidine | (1S,2S,4R)-2...)
Show SMILES Clc1ccc(cn1)[C@@H]1C[C@H]2CC[C@@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m1/s1
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n/an/a 2.79E+3n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM11324
PNG
((2R,3R,4S,5R)-2-(5,6-dichloro-1H-1,3-benzodiazol-1...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cc(Cl)c(Cl)cc12 |r|
Show InChI InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Osaka Prefecture University

Curated by ChEMBL


Assay Description
Inhibition of GST-fused human recombinant CK2alpha expressed in Escherichia coli HMS174 (DE3)


Bioorg Med Chem Lett 19: 2920-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.076
BindingDB Entry DOI: 10.7270/Q25B02CC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinic acetylcholine receptor alpha 5 subunit


(Musca domestica)
BDBM82068
PNG
(CHEMBL9732 | Nicotine-D salicylate | Nicotine-L sa...)
Show SMILES CN1CCC[C@@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1
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n/an/a 4.22E+5n/an/an/an/an/an/a



Gifu University

Curated by ChEMBL


Assay Description
Displacement of [3HIMI from nicotinic acetylcholine receptor in Musca domestica (house fly) head membranes incubated for 60 min by liquid scintillati...


Biosci Biotechnol Biochem 67: 980-8 (2003)


Article DOI: 10.1271/bbb.67.980
BindingDB Entry DOI: 10.7270/Q2KS6VGQ
More data for this
Ligand-Target Pair