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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'sugasawa' and Initial = 'k'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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0.890n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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2.40n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375899
PNG
(CHEMBL406585)
Show SMILES Clc1c2CCNCCc2ccc1C#N
Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
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5.10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375903
PNG
(CHEMBL262862)
Show SMILES Clc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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8.80n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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10n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375450
PNG
(CHEMBL407909 | YM-348)
Show SMILES CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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13n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375905
PNG
(CHEMBL405829)
Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2
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14n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375898
PNG
(CHEMBL406957)
Show SMILES COc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3
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20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375897
PNG
(CHEMBL261489)
Show SMILES C1Cc2ccc3occc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2
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20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375901
PNG
(CHEMBL261490)
Show SMILES C1Cc2ccc3ccoc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2
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23n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375900
PNG
(CHEMBL259480)
Show SMILES Clc1c(Br)ccc2CCNCCc12
Show InChI InChI=1S/C10H11BrClN/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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25n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375899
PNG
(CHEMBL406585)
Show SMILES Clc1c2CCNCCc2ccc1C#N
Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
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30n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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31n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375901
PNG
(CHEMBL261490)
Show SMILES C1Cc2ccc3ccoc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2
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34n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375904
PNG
(CHEMBL429689)
Show SMILES Fc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2
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43n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375897
PNG
(CHEMBL261489)
Show SMILES C1Cc2ccc3occc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2
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46n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375902
PNG
(CHEMBL405717)
Show SMILES CNc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3
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46n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375905
PNG
(CHEMBL405829)
Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2
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51n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375898
PNG
(CHEMBL406957)
Show SMILES COc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3
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62n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375899
PNG
(CHEMBL406585)
Show SMILES Clc1c2CCNCCc2ccc1C#N
Show InChI InChI=1S/C11H11ClN2/c12-11-9(7-13)2-1-8-3-5-14-6-4-10(8)11/h1-2,14H,3-6H2
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65n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375906
PNG
(CHEMBL407636)
Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3
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66n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375898
PNG
(CHEMBL406957)
Show SMILES COc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H14ClNO/c1-14-10-3-2-8-4-6-13-7-5-9(8)11(10)12/h2-3,13H,4-7H2,1H3
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84n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375902
PNG
(CHEMBL405717)
Show SMILES CNc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3
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90n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375897
PNG
(CHEMBL261489)
Show SMILES C1Cc2ccc3occc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2
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90n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375903
PNG
(CHEMBL262862)
Show SMILES Clc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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93n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375901
PNG
(CHEMBL261490)
Show SMILES C1Cc2ccc3ccoc3c2CCN1
Show InChI InChI=1S/C12H13NO/c1-2-10-5-8-14-12(10)11-4-7-13-6-3-9(1)11/h1-2,5,8,13H,3-4,6-7H2
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99n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375903
PNG
(CHEMBL262862)
Show SMILES Clc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-2-1-7-3-5-13-6-4-8(7)10(9)12/h1-2,13H,3-6H2
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100n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375904
PNG
(CHEMBL429689)
Show SMILES Fc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2
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130n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375902
PNG
(CHEMBL405717)
Show SMILES CNc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C11H15ClN2/c1-13-10-3-2-8-4-6-14-7-5-9(8)11(10)12/h2-3,13-14H,4-7H2,1H3
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210n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375905
PNG
(CHEMBL405829)
Show SMILES [O-][N+](=O)c1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2
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300n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375906
PNG
(CHEMBL407636)
Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3
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400n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375904
PNG
(CHEMBL429689)
Show SMILES Fc1ccc2CCNCCc2c1Cl
Show InChI InChI=1S/C10H11ClFN/c11-10-8-4-6-13-5-3-7(8)1-2-9(10)12/h1-2,13H,3-6H2
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410n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50375906
PNG
(CHEMBL407636)
Show SMILES CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
Show InChI InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human 5HT2B receptor expressed in HEK293-EBNA cells


Bioorg Med Chem 16: 3309-20 (2008)


Article DOI: 10.1016/j.bmc.2007.12.009
BindingDB Entry DOI: 10.7270/Q2PN96H0
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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1.10E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50035155
PNG
(CHEMBL3354239)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H24BrClN4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-14(22)10-17(19)28)21(30)25-18-4-3-15(23)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50035154
PNG
(CHEMBL3354240)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Br)cc1C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C27H32BrClN4O9/c1-12(2)33-7-5-13(6-8-33)24(37)32-19-16(25(38)31-18-4-3-15(29)11-30-18)9-14(28)10-17(19)41-27-22(36)20(34)21(35)23(42-27)26(39)40/h3-4,9-13,20-23,27,34-36H,5-8H2,1-2H3,(H,32,37)(H,39,40)(H,30,31,38)/t20-,21-,22+,23-,27+/m0/s1
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n/an/a 4.90n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50035158
PNG
(CHEMBL3354236)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H24Cl2N4O2/c1-13(2)27-9-7-14(8-10-27)20(28)25-18-5-3-15(22)11-17(18)21(29)26-19-6-4-16(23)12-24-19/h3-6,11-14H,7-10H2,1-2H3,(H,25,28)(H,24,26,29)
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n/an/a 5.80n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50035157
PNG
(CHEMBL3354237)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
Show InChI InChI=1S/C21H24Cl2N4O3/c1-12(2)27-7-5-13(6-8-27)20(29)26-19-16(9-15(23)10-17(19)28)21(30)25-18-4-3-14(22)11-24-18/h3-4,9-13,28H,5-8H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 8.20n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50035156
PNG
(CHEMBL3354238)
Show SMILES CC(C)N1CCC(CC1)C(=O)Nc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cc(Cl)cc1C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C27H32Cl2N4O9/c1-12(2)33-7-5-13(6-8-33)24(37)32-19-16(25(38)31-18-4-3-14(28)11-30-18)9-15(29)10-17(19)41-27-22(36)20(34)21(35)23(42-27)26(39)40/h3-4,9-13,20-23,27,34-36H,5-8H2,1-2H3,(H,32,37)(H,39,40)(H,30,31,38)/t20-,21-,22+,23-,27+/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of purified factor 10a (unknown origin) using chromogenic substrate S-2222 by spectrophotometry


Bioorg Med Chem 22: 6324-32 (2014)


Article DOI: 10.1016/j.bmc.2014.09.059
BindingDB Entry DOI: 10.7270/Q23X888S
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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n/an/a 28.6n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358264
PNG
(CHEMBL1922234)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1)C(O)=O
Show InChI InChI=1S/C28H30N4O5/c1-31-14-3-15-32(17-16-31)22-9-4-19(5-10-22)27(34)30-25-18-21(28(35)36)8-13-24(25)29-26(33)20-6-11-23(37-2)12-7-20/h4-13,18H,3,14-17H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 31.1n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358276
PNG
(CHEMBL1922342)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O3S/c1-28-12-3-13-29(15-14-28)17-8-6-16(7-9-17)23(31)27-22-18(4-2-5-19(22)30)26-24(32)20-10-11-21(25)33-20/h2,4-11,30H,3,12-15H2,1H3,(H,26,32)(H,27,31)
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n/an/a 41.3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358275
PNG
(CHEMBL1922343)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C24H25BrN4O3S/c1-28-12-3-13-29(15-14-28)17-8-6-16(7-9-17)23(31)27-22-18(4-2-5-19(22)30)26-24(32)20-10-11-21(25)33-20/h2,4-11,30H,3,12-15H2,1H3,(H,26,32)(H,27,31)
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n/an/a 41.4n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358265
PNG
(CHEMBL1922236)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(O)cc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-14-3-15-31(17-16-30)21-8-4-19(5-9-21)27(34)29-25-18-22(32)10-13-24(25)28-26(33)20-6-11-23(35-2)12-7-20/h4-13,18,32H,3,14-17H2,1-2H3,(H,28,33)(H,29,34)
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PubMed
n/an/a 50.3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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PubMed
n/an/a 54.6n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
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