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Compile Data Set for Download or QSAR

Found 1304 hits with Last Name = 'hata' 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))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.200n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.200n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.510n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330435
PNG
(US9725442, Compound I-49)
Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(Cl)cc1 |r|
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0.590n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50297169
PNG
((6R)-16-(Cyclopropylmethyl)-3,13b-dihydroxy-Cnormo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@]5(C[C@@]34O)Nc3ccccc3C5=O)c2c1 |r,THB:8:7:18:29.4.5|
Show InChI InChI=1S/C26H28N2O3/c29-18-8-7-17-11-22-26(31)15-25(23(30)19-3-1-2-4-21(19)27-25)14-24(26,20(17)12-18)9-10-28(22)13-16-5-6-16/h1-4,7-8,12,16,22,27,29,31H,5-6,9-11,13-15H2/t22-,24-,25-,26-/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Hartley guinea pig mu opioid receptor by liquid scintillation counter


Bioorg Med Chem 17: 5983-8 (2009)


Article DOI: 10.1016/j.bmc.2009.06.067
BindingDB Entry DOI: 10.7270/Q2154H3Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375457
PNG
(CHEMBL261476)
Show SMILES C[C@H](N)Cn1ncc2ccc3occc3c12
Show InChI InChI=1S/C12H13N3O/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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0.780n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375451
PNG
(CHEMBL408579)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(C)cc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(6-15-16)3-4-12-11(13)5-9(2)17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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0.780n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(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
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0.890n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
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))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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1.40n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330452
PNG
(US9725442, Compound I-117)
Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1ccc(C)cc1 |r|
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1.60n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330430
PNG
(US9725442, Compound I-135 | US9725442, Compound I-...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(Cl)cc12 |r|
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2.10n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM85528
PNG
(CAS_3045226 | NSC_3045226 | Ro 60-0175)
Show SMILES CC(N)Cn1ccc2cc(F)c(Cl)cc12
Show InChI InChI=1S/C11H12ClFN2/c1-7(14)6-15-3-2-8-4-10(13)9(12)5-11(8)15/h2-5,7H,6,14H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
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 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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2.40n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330433
PNG
(US9725442, Compound I-29 | US9725442, Compound I-3...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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2.40n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330453
PNG
(US9725442, Compound I-122)
Show SMILES C[C@@H]1CN(C[C@@H]1n1nc(CC(O)=O)c2ccc(F)cc12)S(=O)(=O)c1cccc(Cl)c1 |r|
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2.5n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375454
PNG
(CHEMBL261045)
Show SMILES CCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C14H17N3O/c1-3-12-10-4-5-13-11(6-7-18-13)14(10)17(16-12)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 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 16: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 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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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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM86441
PNG
(CAS_3045225 | NSC_3045225 | YM348)
Show SMILES CCc1cc2c(ccc3cnn(CC(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
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2.5n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 483: 37-43 (2004)


Article DOI: 10.1021/acschembio.6b00012
BindingDB Entry DOI: 10.7270/Q2ZG6QTV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375447
PNG
(CHEMBL403927)
Show SMILES CCc1cc2c(ccc3c(CC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C16H21N3O/c1-4-11-8-13-15(20-11)7-6-12-14(5-2)18-19(16(12)13)9-10(3)17/h6-8,10H,4-5,9,17H2,1-3H3/t10-/m0/s1
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2.70n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330446
PNG
(US9725442, Compound I-85)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@H](n2nc(CC(O)=O)c3ccc(F)cc23)[C@@](C)(F)C1 |r|
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2.80n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330439
PNG
(US9725442, Compound I-62 | US9725442, Compound I-6...)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(C)cc12 |r|
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3.10n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330461
PNG
(US9725442, Compound I-145)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2cccnc12 |r|
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US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330460
PNG
(US9725442, Compound I-144)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1cc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330437
PNG
(US9725442, Compound I-123 | US9725442, Compound I-...)
Show SMILES CC(C)Oc1ccc(cn1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375459
PNG
(CHEMBL264172)
Show SMILES C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-7(4-14-15)2-3-8(11)9(10)12/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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4n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330437
PNG
(US9725442, Compound I-123 | US9725442, Compound I-...)
Show SMILES CC(C)Oc1ccc(cn1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330478
PNG
(US9725442, Compound I-239)
Show SMILES CC(C)C1CC1S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330455
PNG
(US9725442, Compound I-130)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C(F)(F)F |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330463
PNG
(US9725442, Compound I-149)
Show SMILES CC(C)Oc1ccc(nc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375448
PNG
(CHEMBL403926)
Show SMILES CCc1cc2c(ccc3c(C)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O/c1-4-11-7-13-14(19-11)6-5-12-10(3)17-18(15(12)13)8-9(2)16/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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5n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330436
PNG
(US9725442, Compound I-52)
Show SMILES CC(C)Oc1ccc(c(F)c1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330462
PNG
(US9725442, Compound I-148)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1cc(CC(O)=O)c2cccnc12 |r|
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US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330423
PNG
(US9725442, Compound I-9)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@H]1CO)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375458
PNG
(CHEMBL406851)
Show SMILES C[C@H](N)Cn1ncc2ccc3sccc3c12
Show InChI InChI=1S/C12H13N3S/c1-8(13)7-15-12-9(6-14-15)2-3-11-10(12)4-5-16-11/h2-6,8H,7,13H2,1H3/t8-/m0/s1
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6.70n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330456
PNG
(US9725442, Compound I-131)
Show SMILES CC(C)Oc1ccc(cn1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C(F)(F)F |r|
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US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375460
PNG
(CHEMBL256420)
Show SMILES C[C@H](N)Cn1ncc2cc(Cl)c(Cl)cc12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-3-9(12)8(11)2-7(10)4-14-15/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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7.5n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330483
PNG
(US9725442, Compound I-280)
Show SMILES CCOc1ccc(c(CCCO)c1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccccc12 |r|
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US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 7 (CXCR7)


(Homo sapiens (Human))
BDBM50380130
PNG
(CHEMBL2013230)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(CCC1CCCN1C)C\C(C)=C\c1ccccc1F
Show InChI InChI=1S/C27H35FN2O4/c1-19(15-20-9-6-7-11-23(20)28)18-30(14-12-22-10-8-13-29(22)2)27(31)21-16-24(32-3)26(34-5)25(17-21)33-4/h6-7,9,11,15-17,22H,8,10,12-14,18H2,1-5H3/b19-15+
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7.94n/an/an/an/an/an/an/an/a



VU University Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs


Eur J Med Chem 51: 184-92 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.041
BindingDB Entry DOI: 10.7270/Q2PZ59SD
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330476
PNG
(US9725442, Compound I-220)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1C[C@@H](C)[C@H](C1)n1nc(CC(O)=O)c2ccc(cc12)C1=CCCCC1 |r,t:35|
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8.10n/an/an/an/an/an/an/an/a



SHIONOGI & CO., LTD.

US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330424
PNG
(US9725442, Compound I-10)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@H]1C)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375452
PNG
(CHEMBL262092)
Show SMILES COc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C13H15N3O2/c1-8(14)7-16-12-9-5-6-18-11(9)4-3-10(12)13(15-16)17-2/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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8.70n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
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))
BDBM50375459
PNG
(CHEMBL264172)
Show SMILES C[C@H](N)Cn1ncc2ccc(Cl)c(Cl)c12
Show InChI InChI=1S/C10H11Cl2N3/c1-6(13)5-15-10-7(4-14-15)2-3-8(11)9(10)12/h2-4,6H,5,13H2,1H3/t6-/m0/s1
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9.10n/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: 1966-82 (2008)


Article DOI: 10.1016/j.bmc.2007.10.100
BindingDB Entry DOI: 10.7270/Q2TH8NKR
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
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330473
PNG
(US9725442, Compound I-210)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1CC[C@H]([C@@H]1C)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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10n/an/an/an/an/an/an/an/a



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US Patent




US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor 2


(Homo sapiens (Human))
BDBM330428
PNG
(US9725442, Compound I-21)
Show SMILES CC(C)Oc1ccc(cc1)S(=O)(=O)N1C[C@@H](C[C@@H]1Cn1cccn1)n1nc(CC(O)=O)c2ccc(F)cc12 |r|
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US Patent US9725442 (2017)


BindingDB Entry DOI: 10.7270/Q2668G9D
More data for this
Ligand-Target Pair
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