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Compile Data Set for Download or QSAR

Found 430 hits with Last Name = 'yoshikawa' 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
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244722
PNG
(CHEMBL4075976)
PDB

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0.407n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244729
PNG
(CHEMBL4061975)
PDB

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0.851n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244721
PNG
(CHEMBL4100398)
PDB

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0.912n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244730
PNG
(CHEMBL4069537)
PDB

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0.912n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50233225
PNG
(CHEMBL4071864)
Show SMILES CN1c2ccccc2OC[C@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)C1=O |r|
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0.977n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244763
PNG
(CHEMBL4082215)
PDB

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1.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244765
PNG
(CHEMBL4084681)
PDB

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1.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244679
PNG
(CHEMBL4090975)
PDB

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1.70n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244761
PNG
(CHEMBL4075705)
PDB

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1.80n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM15003
PNG
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)
Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30)
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2n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244728
PNG
(CHEMBL4102622)
PDB

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2.5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244720
PNG
(CHEMBL4064701)
PDB

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2.60n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244731
PNG
(CHEMBL4085728)
PDB

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3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244766
PNG
(CHEMBL4073321)
PDB

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3.5n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244678
PNG
(CHEMBL4088216)
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3.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244710
PNG
(CHEMBL4071690)
PDB

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5.10n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244711
PNG
(CHEMBL4098708)
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7.90n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244714
PNG
(CHEMBL4060308)
PDB

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14n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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24n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244716
PNG
(CHEMBL4090065)
PDB

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34n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244717
PNG
(CHEMBL4076592)
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38n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244676
PNG
(CHEMBL4100309)
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55n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244670
PNG
(CHEMBL4077039)
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63n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)
BDBM50244721
PNG
(CHEMBL4100398)
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81n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244677
PNG
(CHEMBL4066941)
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107n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244777
PNG
(CHEMBL4082291)
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117n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244762
PNG
(CHEMBL4063075)
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251n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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300n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
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310n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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370n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50101979
PNG
(2,6-Dihydroxyanthraquinone | 2,6-dihydroxy-9,10-an...)
Show SMILES Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
Show InChI InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
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690n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(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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770n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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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1.50E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM23420
PNG
(7,4′-Dihydroxy-isoflavone (3a) | 7-hydroxy-3...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
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1.80E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL




Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244719
PNG
(CHEMBL4079755)
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4.27E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50366683
PNG
(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
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PubMed
5.70E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244764
PNG
(CHEMBL4097778)
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PubMed
6.92E+3n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50366683
PNG
(CHEMBL464360)
Show SMILES Cc1cc(O)c2C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3C(=O)c2c1 |r|
Show InChI InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta


Bioorg Med Chem Lett 11: 1839-42 (2001)


BindingDB Entry DOI: 10.7270/Q29P325H
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129260
PNG
(CHEMBL3629735)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(CC3CC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(32(27(28)36)15-17-9-10-17)11-12-20(24(23)29)33-16-22(37-3)26(35)25(31-33)21-13-14-30-34(21)18-7-5-4-6-8-18/h4-8,11-14,16-17H,9-10,15H2,1-3H3
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n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129262
PNG
(CHEMBL3627741)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C(C)C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C27H26FN5O3/c1-16(2)32-18-11-12-19(23(28)22(18)27(3,4)26(32)35)31-15-21(36-5)25(34)24(30-31)20-13-14-29-33(20)17-9-7-6-8-10-17/h6-16H,1-5H3
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129261
PNG
(CHEMBL3629734)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C3CCC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(33(27(28)36)17-10-7-11-17)12-13-20(24(23)29)32-16-22(37-3)26(35)25(31-32)21-14-15-30-34(21)18-8-5-4-6-9-18/h4-6,8-9,12-17H,7,10-11H2,1-3H3
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n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129263
PNG
(CHEMBL3629733)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C3(CCC3)c2c1F
Show InChI InChI=1S/C26H22FN5O3/c1-30-17-9-10-18(22(27)21(17)26(25(30)34)12-6-13-26)31-15-20(35-2)24(33)23(29-31)19-11-14-28-32(19)16-7-4-3-5-8-16/h3-5,7-11,14-15H,6,12-13H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129264
PNG
(CHEMBL3629732)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C25H22FN5O3/c1-25(2)20-16(29(3)24(25)33)10-11-17(21(20)26)30-14-19(34-4)23(32)22(28-30)18-12-13-27-31(18)15-8-6-5-7-9-15/h5-14H,1-4H3
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n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129265
PNG
(CHEMBL3629542)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1
Show InChI InChI=1S/C24H22FN5O2/c1-32-22-16-29(20-10-9-18(15-19(20)25)28-13-5-6-14-28)27-23(24(22)31)21-11-12-26-30(21)17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3
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n/an/a 0.230n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180268
PNG
(CHEMBL3814662)
Show SMILES O=c1c(OCCN2CCn3c2nc2ccccc32)cn(CC2CC2)nc1-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C28H27N7O2/c36-27-25(37-17-16-32-14-15-34-23-9-5-4-8-22(23)30-28(32)34)19-33(18-20-10-11-20)31-26(27)24-12-13-29-35(24)21-6-2-1-3-7-21/h1-9,12-13,19-20H,10-11,14-18H2
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n/an/a 0.760n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)


BindingDB Entry DOI: 10.7270/Q2H9974G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129266
PNG
(CHEMBL3629541)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCCC1=O
Show InChI InChI=1S/C24H20FN5O3/c1-33-21-15-29(19-10-9-17(14-18(19)25)28-13-5-8-22(28)31)27-23(24(21)32)20-11-12-26-30(20)16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3
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n/an/a 0.790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50180271
PNG
(CHEMBL3814601)
Show SMILES Cn1c(CCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
Show InChI InChI=1S/C28H28N6O2/c1-32-23-11-6-5-10-22(23)30-26(32)12-7-17-36-25-19-33(18-20-13-14-20)31-27(28(25)35)24-15-16-29-34(24)21-8-3-2-4-9-21/h2-6,8-11,15-16,19-20H,7,12-14,17-18H2,1H3
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n/an/a 0.810n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE10A2 expressed in African green monkey COS7 cells using [3H]cGMP as substrate preincubated for 30 mins followed by...


Bioorg Med Chem 24: 3447-55 (2016)


BindingDB Entry DOI: 10.7270/Q2H9974G
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50129267
PNG
(CHEMBL3629540)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc(cc1F)N1CCOC1=O
Show InChI InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
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n/an/a 0.940n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Receptor-interacting protein 1 (RIPK1)


(Homo sapiens (Human))
BDBM50244721
PNG
(CHEMBL4100398)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Mus musculus)
BDBM50244721
PNG
(CHEMBL4100398)
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n/an/a 2.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 61: 2384-2409 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01647
More data for this
Ligand-Target Pair
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