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Compile Data Set for Download or QSAR

Found 418 hits with Last Name = 'kishida' 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
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583383
PNG
(CHEMBL5028005 | US20230339856, Compound (IIb3))
Show SMILES CCCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583382
PNG
(CHEMBL5028265)
Show SMILES CCCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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6.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583381
PNG
(CHEMBL5029066 | US20230339856, Compound (IIb1))
Show SMILES CCCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583380
PNG
(CHEMBL5027974)
Show SMILES CCCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18353
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine...)
Show SMILES CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583379
PNG
(CHEMBL5028138 | US20230339856, Compound (IIb))
Show SMILES CCC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50335398
PNG
(CHEMBL1651551 | N-Heptyl-1-deoxynojirimycin)
Show SMILES CCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C13H27NO4/c1-2-3-4-5-6-7-14-8-11(16)13(18)12(17)10(14)9-15/h10-13,15-18H,2-9H2,1H3/t10-,11+,12-,13-/m1/s1
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95n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18356
PNG
((2R,3R,4R,5S)-1-hexyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C12H25NO4/c1-2-3-4-5-6-13-7-10(15)12(17)11(16)9(13)8-14/h9-12,14-17H,2-8H2,1H3/t9-,10+,11-,12-/m1/s1
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18355
PNG
((2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-...)
Show SMILES CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583384
PNG
(CHEMBL5080975)
Show SMILES CCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
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210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50335399
PNG
(CHEMBL1651549 | N-Pentyl-1-deoxynojirimycin)
Show SMILES CCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |r|
Show InChI InChI=1S/C11H23NO4/c1-2-3-4-5-12-6-9(14)11(16)10(15)8(12)7-13/h8-11,13-16H,2-7H2,1H3/t8-,9+,10-,11-/m1/s1
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210n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM18354
PNG
((2R,3R,4R,5S)-2-(hydroxymethyl)-1-propylpiperidine...)
Show SMILES CCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
Show InChI InChI=1S/C9H19NO4/c1-2-3-10-4-7(12)9(14)8(13)6(10)5-11/h6-9,11-14H,2-5H2,1H3/t6-,7+,8-,9-/m1/s1
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360n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583385
PNG
(CHEMBL5028105)
Show SMILES CCCCCCC[C@@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583378
PNG
(CHEMBL5028084 | US20230339856, Compound (IIa))
Show SMILES CC[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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6.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Lysosomal alpha-glucosidase


(Homo sapiens (Human))
BDBM50583377
PNG
(CHEMBL5028072)
Show SMILES C[C@]1(CO)NC[C@H](O)[C@@H](O)[C@@H]1O |r|
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3.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GAA using 4-methylumbelliferyl-alpha-D-glucopyranoside as substrate preincubated for 45 min followed by substrate addition and me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01673
BindingDB Entry DOI: 10.7270/Q23J3HVM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358999
PNG
(CHEMBL1923892)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(Cl)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26Cl2N4O4S/c1-14(2)32-10-9-20-22(13-32)37-25(31-20)24(34)30-21-12-15(26(35)36)11-19(28)18(21)7-8-23(33)29-17-5-3-16(27)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.380n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508496
PNG
(5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3[C@@H](O)CCN3C(=O)c2c1 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508497
PNG
(5-chloro-N-[(9S,9aS)-9-hydroxy-5-oxo-8,9,9a,10-tet...)
Show SMILES O[C@H]1CCN2[C@H]1COc1ncc(NS(=O)(=O)c3cc(Cl)ccc3OC(F)(F)F)cc1C2=O |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359000
PNG
(CHEMBL1923893)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(c1CCC(=O)Nc1ccc(Cl)cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H26ClF3N4O4S/c1-14(2)35-10-9-20-22(13-35)40-25(34-20)24(37)33-21-12-15(26(38)39)11-19(27(29,30)31)18(21)7-8-23(36)32-17-5-3-16(28)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,32,36)(H,33,37)(H,38,39)
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n/an/a 0.480n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508503
PNG
(US11046710, Example 50 | methyl [(8R,9aR)-3-{[(5-c...)
Show SMILES COC(=O)N[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508500
PNG
(5-chloro-2-methoxy-N-[(8S,9aR)-8-methoxy-5-oxo-8,9...)
Show SMILES CO[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.5n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359001
PNG
(CHEMBL1923894)
Show SMILES COc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H29ClN4O5S/c1-15(2)32-11-10-20-23(14-32)38-26(31-20)25(34)30-21-12-16(27(35)36)13-22(37-3)19(21)8-9-24(33)29-18-6-4-17(28)5-7-18/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.540n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508502
PNG
((8S,9aR)-3-{[(5-chloro-2-methoxyphenyl)sulfonyl]am...)
Show SMILES COC(=O)N[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC)cc3C(=O)N2C1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508512
PNG
(2-ethoxy-5-fluoro-N-[(10aS)-7-oxo-7,8,10a,11-tetra...)
Show SMILES CCOc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3COC(=O)CN3Cc2c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359002
PNG
(CHEMBL1923895)
Show SMILES CCOc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H31ClN4O5S/c1-4-38-23-14-17(28(36)37)13-22(20(23)9-10-25(34)30-19-7-5-18(29)6-8-19)31-26(35)27-32-21-11-12-33(16(2)3)15-24(21)39-27/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,30,34)(H,31,35)(H,36,37)
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n/an/a 0.740n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358998
PNG
(CHEMBL1923891)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(cc(F)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFN4O4S/c1-14(2)32-10-9-20-22(13-32)37-25(31-20)24(34)30-21-12-15(26(35)36)11-19(28)18(21)7-8-23(33)29-17-5-3-16(27)4-6-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 0.800n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508498
PNG
(5-chloro-N-[(8S,9aR)-8-fluoro-5-oxo-8,9,9a,10-tetr...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](F)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508487
PNG
(US11046710, Example 30)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508491
PNG
(US11046710, Example 35)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508489
PNG
(US11046710, Example 32)
Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358982
PNG
(CHEMBL1923876)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CNC(=O)c1ccc(Cl)s1)C(O)=O
Show InChI InChI=1S/C23H23ClN4O4S2/c1-12(2)28-8-7-15-18(11-28)34-22(27-15)21(30)26-16-9-13(23(31)32)3-4-14(16)10-25-20(29)17-5-6-19(24)33-17/h3-6,9,12H,7-8,10-11H2,1-2H3,(H,25,29)(H,26,30)(H,31,32)
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n/an/a 0.930n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Cathepsin S


(Homo sapiens (Human))
BDBM50273289
PNG
(2-Cyano-4-(1-methyl-piperidin-4-yloxy)-6-[(spiro[2...)
Show SMILES CN1CCC(CC1)Oc1nc(nc(NCC2CCC3(CC3)CC2)c1C(=O)NCc1ccccc1)C#N
Show InChI InChI=1S/C28H36N6O2/c1-34-15-9-22(10-16-34)36-27-24(26(35)31-19-20-5-3-2-4-6-20)25(32-23(17-29)33-27)30-18-21-7-11-28(12-8-21)13-14-28/h2-6,21-22H,7-16,18-19H2,1H3,(H,31,35)(H,30,32,33)
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant cathepsin S by fluorometric assay


Bioorg Med Chem Lett 18: 4642-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.011
BindingDB Entry DOI: 10.7270/Q2WH2PS6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508506
PNG
(US11046710, Example 54)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3C[C@H](O)C(=O)N3Cc2c1 |r|
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n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358997
PNG
(CHEMBL1921822)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C26H27BrN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
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n/an/a 1.20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508488
PNG
(US11046710, Example 31)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508485
PNG
(US11046710, Example 28)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3CCCN3C(=O)c2c1 |r|
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358994
PNG
(CHEMBL1923888)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H27ClN4O4S/c1-15(2)31-12-11-20-22(14-31)36-25(30-20)24(33)29-21-13-17(26(34)35)4-3-16(21)5-10-23(32)28-19-8-6-18(27)7-9-19/h3-4,6-9,13,15H,5,10-12,14H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
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n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508507
PNG
(5-chloro-N-[(8S,9aS)-8-hydroxy-7-oxo-8,9,9a,10-tet...)
Show SMILES O[C@H]1C[C@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3CN2C1=O |r|
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508513
PNG
(US11046710, Example 63)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CNC(=O)CN3Cc2c1 |r|
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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508510
PNG
(5-chloro-2-methoxy-N-[(10aS)-7-oxo-7,8,9,10,10a, 1...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@@H]3CCCC(=O)N3Cc2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508493
PNG
(US11046710, Example 37)
Show SMILES O[C@@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508501
PNG
((8S,9aR)-3-({[5-chloro-2-(trifluoromethoxy)phenyl]...)
Show SMILES CC(=O)O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(Cl)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358993
PNG
(CHEMBL1923887)
Show SMILES CC(C)N1CCc2nc(sc2C1)C(=O)Nc1c(CCC(=O)Nc2ccc(Cl)cc2)cccc1C(O)=O
Show InChI InChI=1S/C26H27ClN4O4S/c1-15(2)31-13-12-20-21(14-31)36-25(29-20)24(33)30-23-16(4-3-5-19(23)26(34)35)6-11-22(32)28-18-9-7-17(27)8-10-18/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,28,32)(H,30,33)(H,34,35)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508492
PNG
(US11046710, Example 36)
Show SMILES COc1ccc(F)cc1S(=O)(=O)Nc1cnc2OC[C@H]3C[C@@H](O)CN3C(=O)c2c1 |r|
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TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508490
PNG
(US11046710, Example 34)
Show SMILES O[C@H]1C[C@@H]2COc3ncc(NS(=O)(=O)c4cc(F)ccc4OC(F)(F)F)cc3C(=O)N2C1 |r|
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n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50359003
PNG
(CHEMBL1923896)
Show SMILES CC(C)Oc1cc(cc(NC(=O)c2nc3CCN(Cc3s2)C(C)C)c1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C29H33ClN4O5S/c1-16(2)34-12-11-22-25(15-34)40-28(33-22)27(36)32-23-13-18(29(37)38)14-24(39-17(3)4)21(23)9-10-26(35)31-20-7-5-19(30)6-8-20/h5-8,13-14,16-17H,9-12,15H2,1-4H3,(H,31,35)(H,32,36)(H,37,38)
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n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50338329
PNG
(CHEMBL1681798 | N-(2-{3-[(5-Chlorothiophen-2-yl)ca...)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1ccccc1CNC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)
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PubMed
n/an/a 1.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM508514
PNG
(5-chloro-2-methoxy-N-[(10aS)-9-methyl-7-oxo-7,8,9,...)
Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2OC[C@H]3CNC(=O)CN3Cc2c1 |r|
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
COS1 cells (DS Pharma Biomedical Co., Ltd.) were transfected with human TNAP (OriGene Technologies, Inc.) using Lipofectamine LTX & Plus reagent (Inv...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ8BSN
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358991
PNG
(CHEMBL1923885)
Show SMILES CN1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1CCC(=O)Nc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H23ClN4O4S/c1-29-11-10-18-20(13-29)34-23(28-18)22(31)27-19-12-15(24(32)33)3-2-14(19)4-9-21(30)26-17-7-5-16(25)6-8-17/h2-3,5-8,12H,4,9-11,13H2,1H3,(H,26,30)(H,27,31)(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using S-2222 as substrate by spectrophotometry


Bioorg Med Chem Lett 21: 7337-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.021
BindingDB Entry DOI: 10.7270/Q2V40VM5
More data for this
Ligand-Target Pair
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