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Compile Data Set for Download or QSAR

Found 431 hits with Last Name = 'kubota' and Initial = 'h'   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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0.217n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
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
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))
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
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
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
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
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
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
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
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 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))
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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11n/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))
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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11n/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))
BDBM50375446
PNG
(CHEMBL273163)
Show SMILES CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O2/c1-4-10-7-12-13(20-10)6-5-11-14(12)18(8-9(2)16)17-15(11)19-3/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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12n/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 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: 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))
BDBM50375455
PNG
(CHEMBL404969)
Show SMILES C[C@H](N)Cn1nc(C)c2ccc3occc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(9(2)15-16)3-4-12-11(13)5-6-17-12/h3-6,8H,7,14H2,1-2H3/t8-/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 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))
BDBM50180252
PNG
((2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine |...)
Show SMILES COc1ccc2cnn(C[C@H](C)N)c2c1
Show InChI InChI=1S/C11H15N3O/c1-8(12)7-14-11-5-10(15-2)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
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16n/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 2A


(Homo sapiens (Human))
BDBM50375455
PNG
(CHEMBL404969)
Show SMILES C[C@H](N)Cn1nc(C)c2ccc3occc3c12
Show InChI InChI=1S/C13H15N3O/c1-8(14)7-16-13-10(9(2)15-16)3-4-12-11(13)5-6-17-12/h3-6,8H,7,14H2,1-2H3/t8-/m0/s1
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17n/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))
BDBM50375449
PNG
(CHEMBL272755)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(cc3c12)C(C)C
Show InChI InChI=1S/C15H19N3O/c1-9(2)14-6-12-13(19-14)5-4-11-7-17-18(15(11)12)8-10(3)16/h4-7,9-10H,8,16H2,1-3H3/t10-/m0/s1
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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: 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))
BDBM50375453
PNG
(CHEMBL404970)
Show SMILES CCCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C15H19N3O/c1-3-4-13-11-5-6-14-12(7-8-19-14)15(11)18(17-13)9-10(2)16/h5-8,10H,3-4,9,16H2,1-2H3/t10-/m0/s1
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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 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))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](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/t7-/m0/s1
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26n/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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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27n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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30n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]U-69593 from kappa receptor in guinea pig brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50375462
PNG
(CHEMBL256623)
Show SMILES C[C@H](N)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C10H12FN3/c1-7(12)6-14-10-4-9(11)3-2-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
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32n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50291697
PNG
((1S,2S,13S)-22-(cyclopropylmethyl)-14-oxa-11,22-di...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@H]3Oc4cccc5CC1N(CC1CC1)CC[C@@]23c45 |THB:17:18:1:21.27.26,14:29:1:21.27.26|
Show InChI InChI=1S/C26H26N2O2/c29-26-13-18-17-5-1-2-6-19(17)27-23(18)24-25(26)10-11-28(14-15-8-9-15)21(26)12-16-4-3-7-20(30-24)22(16)25/h1-7,15,21,24,27,29H,8-14H2/t21?,24-,25+,26-/m1/s1
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35n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50180252
PNG
((2S)-1-(6-methoxy-1H-indazol-1-yl)propan-2-amine |...)
Show SMILES COc1ccc2cnn(C[C@H](C)N)c2c1
Show InChI InChI=1S/C11H15N3O/c1-8(12)7-14-11-5-10(15-2)4-3-9(11)6-13-14/h3-6,8H,7,12H2,1-2H3/t8-/m0/s1
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37n/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))
BDBM50375446
PNG
(CHEMBL273163)
Show SMILES CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c23)o1
Show InChI InChI=1S/C15H19N3O2/c1-4-10-7-12-13(20-10)6-5-11-14(12)18(8-9(2)16)17-15(11)19-3/h5-7,9H,4,8,16H2,1-3H3/t9-/m0/s1
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38n/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))
BDBM50144841
PNG
((S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-am...)
Show SMILES C[C@H](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/t7-/m0/s1
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39n/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))
BDBM50375463
PNG
(CHEMBL257503)
Show SMILES C[C@H](N)Cn1ncc2cc(F)ccc12
Show InChI InChI=1S/C10H12FN3/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
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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: 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))
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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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: 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))
BDBM50375456
PNG
(CHEMBL261046)
Show SMILES C[C@H](N)Cn1ncc2ccc3ocnc3c12
Show InChI InChI=1S/C11H12N4O/c1-7(12)5-15-11-8(4-14-15)2-3-9-10(11)13-6-16-9/h2-4,6-7H,5,12H2,1H3/t7-/m0/s1
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47n/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))
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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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: 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))
BDBM50375456
PNG
(CHEMBL261046)
Show SMILES C[C@H](N)Cn1ncc2ccc3ocnc3c12
Show InChI InChI=1S/C11H12N4O/c1-7(12)5-15-11-8(4-14-15)2-3-9-10(11)13-6-16-9/h2-4,6-7H,5,12H2,1H3/t7-/m0/s1
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59n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50069179
PNG
(22-cyclopropylmethyl-16-vinyl-14-oxa-11,22-diazahe...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
Show InChI InChI=1S/C28H28N2O2/c1-2-17-9-10-18-13-22-28(31)14-20-19-5-3-4-6-21(19)29-24(20)26-27(28,23(18)25(17)32-26)11-12-30(22)15-16-7-8-16/h2-6,9-10,16,22,26,29,31H,1,7-8,11-15H2/t22-,26+,27+,28-/m1/s1
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61n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375453
PNG
(CHEMBL404970)
Show SMILES CCCc1nn(C[C@H](C)N)c2c1ccc1occc21
Show InChI InChI=1S/C15H19N3O/c1-3-4-13-11-5-6-14-12(7-8-19-14)15(11)18(17-13)9-10(2)16/h5-8,10H,3-4,9,16H2,1-2H3/t10-/m0/s1
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64n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50069175
PNG
(22-cyclopropylmethyl-16-methyl-14-oxa-11,22-diazah...)
Show SMILES Cc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C27H28N2O2/c1-15-6-9-17-12-21-27(30)13-19-18-4-2-3-5-20(18)28-23(19)25-26(27,22(17)24(15)31-25)10-11-29(21)14-16-7-8-16/h2-6,9,16,21,25,28,30H,7-8,10-14H2,1H3/t21-,25+,26+,27-/m1/s1
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71n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375462
PNG
(CHEMBL256623)
Show SMILES C[C@H](N)Cn1ncc2ccc(F)cc12
Show InChI InChI=1S/C10H12FN3/c1-7(12)6-14-10-4-9(11)3-2-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
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82n/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))
BDBM50375449
PNG
(CHEMBL272755)
Show SMILES C[C@H](N)Cn1ncc2ccc3oc(cc3c12)C(C)C
Show InChI InChI=1S/C15H19N3O/c1-9(2)14-6-12-13(19-14)5-4-11-7-17-18(15(11)12)8-10(3)16/h4-7,9-10H,8,16H2,1-3H3/t10-/m0/s1
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87n/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))
BDBM50375463
PNG
(CHEMBL257503)
Show SMILES C[C@H](N)Cn1ncc2cc(F)ccc12
Show InChI InChI=1S/C10H12FN3/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
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89n/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))
BDBM50375461
PNG
(CHEMBL404065)
Show SMILES COc1ccc2cnn(C[C@H](C)N)c2c1Cl
Show InChI InChI=1S/C11H14ClN3O/c1-7(13)6-15-11-8(5-14-15)3-4-9(16-2)10(11)12/h3-5,7H,6,13H2,1-2H3/t7-/m0/s1
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140n/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
Glutamate receptor ionotropic, NMDA 1


(RAT)
BDBM50050449
PNG
(6-Methoxy-7-nitro-1,4-dihydro-pyrido[2,3-b]pyrazin...)
Show SMILES COc1nc2[nH]c(=O)c(=[OH+])[n-]c2cc1[N+]([O-])=O
Show InChI InChI=1S/C8H6N4O5/c1-17-8-4(12(15)16)2-3-5(11-8)10-7(14)6(13)9-3/h2H,1H3,(H2,9,10,11,13,14)
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370n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the inhibition of the specific binding of [3H]-Gly to N-methyl-D-aspartate glutamate receptor 1 in rat whole brain m...


J Med Chem 39: 1331-8 (1996)


Article DOI: 10.1021/jm950304+
BindingDB Entry DOI: 10.7270/Q2RN36XQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50069177
PNG
(22-cyclopropylmethyl-16-(2-furyl)-14-oxa-11,22-dia...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4-c1ccco1
Show InChI InChI=1S/C30H28N2O3/c33-30-15-21-19-4-1-2-5-22(19)31-26(21)28-29(30)11-12-32(16-17-7-8-17)24(30)14-18-9-10-20(23-6-3-13-34-23)27(35-28)25(18)29/h1-6,9-10,13,17,24,28,31,33H,7-8,11-12,14-16H2/t24-,28+,29+,30-/m1/s1
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959n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50375461
PNG
(CHEMBL404065)
Show SMILES COc1ccc2cnn(C[C@H](C)N)c2c1Cl
Show InChI InChI=1S/C11H14ClN3O/c1-7(13)6-15-11-8(5-14-15)3-4-9(16-2)10(11)12/h3-5,7H,6,13H2,1-2H3/t7-/m0/s1
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1.20E+3n/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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50069176
PNG
(22-cyclopropylmethyl-16-(3-hydroxyphenyl)-14-oxa-1...)
Show SMILES Oc1cccc(c1)-c1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O
Show InChI InChI=1S/C32H30N2O3/c35-21-5-3-4-19(14-21)22-11-10-20-15-26-32(36)16-24-23-6-1-2-7-25(23)33-28(24)30-31(32,27(20)29(22)37-30)12-13-34(26)17-18-8-9-18/h1-7,10-11,14,18,26,30,33,35-36H,8-9,12-13,15-17H2/t26-,30+,31+,32-/m1/s1
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1.61E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DADLE from delta receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50069179
PNG
(22-cyclopropylmethyl-16-vinyl-14-oxa-11,22-diazahe...)
Show SMILES O[C@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4C=C
Show InChI InChI=1S/C28H28N2O2/c1-2-17-9-10-18-13-22-28(31)14-20-19-5-3-4-6-21(19)29-24(20)26-27(28,23(18)25(17)32-26)11-12-30(22)15-16-7-8-16/h2-6,9-10,16,22,26,29,31H,1,7-8,11-15H2/t22-,26+,27+,28-/m1/s1
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>5.68E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]DAMGO from mu receptor in rat brain.


Bioorg Med Chem Lett 8: 799-804 (1999)


BindingDB Entry DOI: 10.7270/Q2SF2WPQ
More data for this
Ligand-Target Pair
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