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Compile Data Set for Download or QSAR

Found 1294 hits with Last Name = 'loo' and Initial = 'd'   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617046
PNG
(US11752155, Compound E1-38.6B')
Show SMILES FC(F)[H]c1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617044
PNG
(US11752155, Compound E1-38.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.180n/an/an/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205787
PNG
((E)-5-fluoro-2-(2-(5-(2-fluorophenylsulfonyl)pyrid...)
Show SMILES Oc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H13F2NO3S/c20-14-7-5-13(18(23)11-14)6-8-15-9-10-16(12-22-15)26(24,25)19-4-2-1-3-17(19)21/h1-12,23H/b8-6+
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0.190n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617051
PNG
(US11752155, Compound III-E1-38.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ccncc1)C(=O)OC1Cc2ccccc2C1 |r|
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0.290n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617045
PNG
(US11752155, Compound E1-38.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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0.350n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50169842
PNG
(1-(2,4-difluorophenethyl)-4-fluoro-4-(4-fluorophen...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)C1(F)CCN(CCc2ccc(F)cc2F)CC1
Show InChI InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2
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0.390n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388301
PNG
(US10294230, Compound E1-22.2 | US10584127, Compoun...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C19H22F2N4O2/c1-14-3-5-15(6-4-14)12-27-18(26)25-10-7-16(19(20,21)13-25)11-24-17-22-8-2-9-23-17/h2-6,8-9,16H,7,10-13H2,1H3,(H,22,23,24)/t16-/m1/s1
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0.413n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617024
PNG
(US11752155, Compound E1-22.5B')
Show SMILES CCc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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0.490n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205790
PNG
((E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyrid...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H13F2NOS/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)24(23)17-4-2-1-3-5-17/h1-13H/b9-7+
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205790
PNG
((E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyrid...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H13F2NOS/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)24(23)17-4-2-1-3-5-17/h1-13H/b9-7+
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0.700n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388302
PNG
(US10294230, Compound E1-21.2 | US10584127, Compoun...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C19H22F2N4O2/c1-14-2-4-15(5-3-14)12-27-18(26)25-9-6-16(19(20,21)13-25)10-24-17-11-22-7-8-23-17/h2-5,7-8,11,16H,6,9-10,12-13H2,1H3,(H,23,24)/t16-/m1/s1
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617047
PNG
(US11752155, Compound E1-38.8B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3F)C(F)(F)C2)cc1 |r|
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0.800n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617030
PNG
(US11752155, Compound E1-22.3B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OCc1ccc(Cl)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM287603
PNG
(BDBM393497 | BDBM413611 | BDBM617007 | US9567341, ...)
Show SMILES FC(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H21F4N5/c21-17(22)13-1-3-14(4-2-13)20(23,24)11-29-9-6-15(7-10-29)28-19-16-5-8-25-18(16)26-12-27-19/h1-5,8,12,15,17H,6-7,9-11H2,(H2,25,26,27,28)
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0.838n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371214
PNG
(CHEMBL1162962)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)c(F)c1
Show InChI InChI=1S/C19H13F2NO2S/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)25(23,24)17-4-2-1-3-5-17/h1-13H/b9-7+
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0.860n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617032
PNG
(US11752155, Compound E1-22.6B')
Show SMILES FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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0.940n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388303
PNG
(US10294230, Compound E1-21.26 | US10584127, Compou...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cnc(C)cn3)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H24F2N4O2/c1-14-3-5-16(6-4-14)12-28-19(27)26-8-7-17(20(21,22)13-26)10-25-18-11-23-15(2)9-24-18/h3-6,9,11,17H,7-8,10,12-13H2,1-2H3,(H,24,25)/t17-/m1/s1
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1.02n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617031
PNG
(US11752155, Compound E1-22.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ncccn3)C(F)(F)C2)cc1 |r|
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1.10n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617055
PNG
(US11752155, Compound E2-38.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@@H](CNc3ccncc3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617034
PNG
(US11752155, Compound E1-23.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
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1.30n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617026
PNG
(US11752155, Compound E1-21.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3cnccn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM435146
PNG
(US10584127, Compound E1-8.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc4cn[nH]c4n3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM287602
PNG
(US10420768, Compound C-178 | US11752155, Compound ...)
Show SMILES FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H20F5N5/c21-19(22,13-1-3-14(4-2-13)20(23,24)25)11-30-9-6-15(7-10-30)29-18-16-5-8-26-17(16)27-12-28-18/h1-5,8,12,15H,6-7,9-11H2,(H2,26,27,28,29)
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617049
PNG
(US11752155, Compound III-E1-22.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ncccn1)C(=O)OC1Cc2ccccc2C1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617033
PNG
(US11752155, Compound E1-22.28B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(F)cn3)C(F)(F)C2)cc1 |r|
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1.60n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205801
PNG
((E)-2-(2-chloro-4-fluorostyryl)-5-(2-fluorophenyls...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(Cl)c1
Show InChI InChI=1S/C19H12ClF2NO2S/c20-17-11-14(21)7-5-13(17)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-18(19)22/h1-12H/b8-6+
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1.80n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617038
PNG
(US11752155, Compound E1-24.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
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2.10n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617041
PNG
(US11752155, Compound E1-37.2B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617021
PNG
(US11752155, Compound E1-1.5B')
Show SMILES CCc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
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2.55n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617025
PNG
(US11752155, Compound E1-22.30B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(cn3)C#N)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205798
PNG
((E)-2-(2-fluorostyryl)-5-(2-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H13F2NO2S/c20-17-6-2-1-5-14(17)9-10-15-11-12-16(13-22-15)25(23,24)19-8-4-3-7-18(19)21/h1-13H/b10-9+
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205793
PNG
((E)-2-(2,4-difluorostyryl)-5-(2-fluorophenylsulfon...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H12F3NO2S/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)26(24,25)19-4-2-1-3-17(19)21/h1-12H/b8-6+
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2.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617050
PNG
(US11752155, Compound III-E1-37.1B')
Show SMILES FC1(F)CN(CC[C@@H]1CNc1ccncn1)C(=O)OC1Cc2ccccc2C1 |r|
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2.90n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617022
PNG
(US11752155, Compound E1-22.26B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ncc(C)cn3)C(F)(F)C2)cc1 |r|
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3.40n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205783
PNG
((E)-2-(2,4-difluorostyryl)-5-(2-fluorophenylsulfin...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)c(F)c1
Show InChI InChI=1S/C19H12F3NOS/c20-14-7-5-13(18(22)11-14)6-8-15-9-10-16(12-23-15)25(24)19-4-2-1-3-17(19)21/h1-12H/b8-6+
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3.5n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205799
PNG
((E)-2-(2-(5-(2-fluorophenylsulfonyl)pyridin-2-yl)v...)
Show SMILES Oc1ccccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C19H14FNO3S/c20-17-6-2-4-8-19(17)25(23,24)16-12-11-15(21-13-16)10-9-14-5-1-3-7-18(14)22/h1-13,22H/b10-9+
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3.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617048
PNG
(US11752155, Compound E1-38.10B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncc3F)C(F)(F)C2)cc1 |r|
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3.80n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617043
PNG
(US11752155, Compound E1-37.6B')
Show SMILES FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
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3.90n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205784
PNG
((E)-2-(4-fluorostyryl)-5-(2-fluorophenylsulfinyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C19H13F2NOS/c20-15-8-5-14(6-9-15)7-10-16-11-12-17(13-22-16)24(23)19-4-2-1-3-18(19)21/h1-13H/b10-7+
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4.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617042
PNG
(US11752155, Compound E1-37.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ccncn3)C(F)(F)C2)cc1 |r|
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4.70n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617040
PNG
(US11752155, Compound E1-24.6B')
Show SMILES FC(F)c1ccc(COC(=O)N2CC[C@H](CNc3cccnn3)C(F)(F)C2)cc1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388294
PNG
(US10294230, Compound E1-1.2 | US10584127, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3nccn4cnnc34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-8-6-16(20(21,22)12-27)10-24-17-18-26-25-13-28(18)9-7-23-17/h2-5,7,9,13,16H,6,8,10-12H2,1H3,(H,23,24)/t16-/m1/s1
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4.81n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205791
PNG
((E)-2-(4-fluorostyryl)-5-(2-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-15-8-5-14(6-9-15)7-10-16-11-12-17(13-22-16)25(23,24)19-4-2-1-3-18(19)21/h1-13H/b10-7+
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5.40n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617037
PNG
(US11752155, Compound E1-23.26B')
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3ccc(C)cn3)C(F)(F)C2)cc1 |r|
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6.5n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205786
PNG
((E)-2-(4-fluorostyryl)-5-(phenylsulfonyl)pyridine ...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H14FNO2S/c20-16-9-6-15(7-10-16)8-11-17-12-13-19(14-21-17)24(22,23)18-4-2-1-3-5-18/h1-14H/b11-8+
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7.40n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205788
PNG
((E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine ...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H14FNOS/c20-16-9-6-15(7-10-16)8-11-17-12-13-19(14-21-17)23(22)18-4-2-1-3-5-18/h1-14H/b11-8+
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7.70n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM617036
PNG
(US11752155, Compound E1-23.4B')
Show SMILES Fc1ccc(COC(=O)N2CC[C@H](CNc3ccccn3)C(F)(F)C2)cc1 |r|
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7.80n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205785
PNG
((E)-2-(4-fluoro-2-methylstyryl)-5-(2-fluorophenyls...)
Show SMILES Cc1cc(F)ccc1\C=C\c1ccc(cn1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C20H15F2NO2S/c1-14-12-16(21)8-6-15(14)7-9-17-10-11-18(13-23-17)26(24,25)20-5-3-2-4-19(20)22/h2-13H,1H3/b9-7+
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8.20n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM388299
PNG
(US10294230, Compound E1-1.3 | US10584127, Compound...)
Show SMILES FC1(F)CN(CC[C@@H]1CNc1nccn2cnnc12)C(=O)OCc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C19H19ClF2N6O2/c20-15-3-1-13(2-4-15)10-30-18(29)27-7-5-14(19(21,22)11-27)9-24-16-17-26-25-12-28(17)8-6-23-16/h1-4,6,8,12,14H,5,7,9-11H2,(H,23,24)/t14-/m1/s1
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8.67n/an/an/an/an/an/an/an/a


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Citation and Details

BindingDB Entry DOI: 10.7270/Q26T0RS5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205782
PNG
((E)-2-(4-fluorostyryl)-5-(3-fluorophenylsulfonyl)p...)
Show SMILES Fc1ccc(\C=C\c2ccc(cn2)S(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C19H13F2NO2S/c20-15-7-4-14(5-8-15)6-9-17-10-11-19(13-22-17)25(23,24)18-3-1-2-16(21)12-18/h1-13H/b9-6+
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9.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2643-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.098
BindingDB Entry DOI: 10.7270/Q2F47PZH
More data for this
Ligand-Target Pair
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