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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'kelly' and Initial = 'c'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210089
PNG
((R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-...)
Show SMILES COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
Show InChI InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
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n/an/a 0.110n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210078
PNG
((R)-2-(8-methoxymethyl-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H21NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h9H,3-8,16H2,1-2H3/t9-/m1/s1
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n/an/a 0.280n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/a 0.290n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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n/an/a 0.300n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210093
PNG
(CHEMBL393077 | [8-((R)-2-amino-propyl)-benzo[1,2-b...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(CO)c2ccoc12
Show InChI InChI=1S/C14H15NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h2-5,8,16H,6-7,15H2,1H3/t8-/m1/s1
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n/an/a 0.310n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
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n/an/a 0.380n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50133231
PNG
((R)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine |...)
Show SMILES COc1cc(C[C@@H](C)N)c(OC)cc1I
Show InChI InChI=1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210092
PNG
(3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo...)
Show SMILES COC(=O)CCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H23NO4/c1-10(18)9-14-13-6-8-21-16(13)11(3-4-15(19)20-2)12-5-7-22-17(12)14/h10H,3-9,18H2,1-2H3/t10-/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/a 0.880n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210087
PNG
(CHEMBL394664 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CO)c2CCOc12
Show InChI InChI=1S/C14H19NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h8,16H,2-7,15H2,1H3/t8-/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210088
PNG
((R)-1-methyl-2-{8-[2-(3-methyl-[1,2,4]oxadiazol-5-...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CCc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C18H23N3O3/c1-10(19)9-15-14-6-8-22-17(14)12(13-5-7-23-18(13)15)3-4-16-20-11(2)21-24-16/h10H,3-9,19H2,1-2H3/t10-/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210091
PNG
((1S,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210080
PNG
(8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COC(=O)c1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)7-11-9-3-5-20-14(9)12(15(17)18-2)10-4-6-19-13(10)11/h8H,3-7,16H2,1-2H3/t8-/m1/s1
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Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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n/an/a 24n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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n/an/a 68n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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n/an/a 75n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 2


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-2 (unknown origin) after 60 mins by IMAP assay


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210090
PNG
(CHEMBL232997 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CC(O)=O)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)6-11-9-2-4-20-15(9)12(7-13(17)18)10-3-5-19-14(10)11/h8H,2-7,16H2,1H3,(H,17,18)/t8-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004422
PNG
(CHEMBL3238167)
Show SMILES C1CNCCN(C1)c1cncc(n1)-c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C16H18N6/c1-4-17-5-7-22(6-1)16-11-18-10-15(20-16)12-2-3-14-13(8-12)9-19-21-14/h2-3,8-11,17H,1,4-7H2,(H,19,21)
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n/an/a 105n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50319005
PNG
((R)-4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4...)
Show SMILES C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H16N4O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15/h2-10H,17H2,1H3,(H2,18,19,20,21)/t10-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004423
PNG
(CHEMBL3238168)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(n1)N1CCCNCC1
Show InChI InChI=1S/C17H20N6/c1-12-14-9-13(3-4-15(14)22-21-12)16-10-19-11-17(20-16)23-7-2-5-18-6-8-23/h3-4,9-11,18H,2,5-8H2,1H3,(H,21,22)
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n/an/a 140n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004421
PNG
(CHEMBL3238166)
Show SMILES C1CCN(C1)c1ncc(nc1N1CCCNCC1)-c1cc2cn[nH]c2cn1
Show InChI InChI=1S/C19H24N8/c1-2-7-26(6-1)18-19(27-8-3-4-20-5-9-27)24-17(13-22-18)15-10-14-11-23-25-16(14)12-21-15/h10-13,20H,1-9H2,(H,23,25)
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n/an/a 203n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004418
PNG
(CHEMBL3238163)
Show SMILES CN(C)CC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H33N7O/c1-26(2)16-19(30)17-27-11-13-29(14-12-27)22-21(28-9-3-4-10-28)24-15-20(25-22)18-5-7-23-8-6-18/h5-8,15,19,30H,3-4,9-14,16-17H2,1-2H3
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n/an/a 288n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004420
PNG
(CHEMBL3238165)
Show SMILES CC(=O)NCCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O/c1-18(30)24-7-4-10-27-13-15-29(16-14-27)22-21(28-11-2-3-12-28)25-17-20(26-22)19-5-8-23-9-6-19/h5-6,8-9,17H,2-4,7,10-16H2,1H3,(H,24,30)
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n/an/a 346n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50004419
PNG
(CHEMBL3238164)
Show SMILES CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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n/an/a 350n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50309126
PNG
(2-(4-(6-(pyridin-4-yl)-3-(pyrrolidin-1-yl)pyrazin-...)
Show SMILES OCCN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
Show InChI InChI=1S/C19H26N6O/c26-14-13-23-9-11-25(12-10-23)19-18(24-7-1-2-8-24)21-15-17(22-19)16-3-5-20-6-4-16/h3-6,15,26H,1-2,7-14H2
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n/an/a 570n/an/an/an/an/an/a



Alcon Laboratories Inc

Curated by ChEMBL


Assay Description
Inhibition of truncated ROCK-1 (unknown origin)


Bioorg Med Chem Lett 24: 1875-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.017
BindingDB Entry DOI: 10.7270/Q21Z45X8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210086
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(-c2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C16H19N3O3/c1-8(17)7-12-10-3-5-21-15(10)13(11-4-6-20-14(11)12)16-18-9(2)19-22-16/h8H,3-7,17H2,1-2H3/t8-/m1/s1
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n/an/a 910n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210082
PNG
(3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CCC(O)=O)c2CCOc12
Show InChI InChI=1S/C16H21NO4/c1-9(17)8-13-12-5-7-20-15(12)10(2-3-14(18)19)11-4-6-21-16(11)13/h9H,2-8,17H2,1H3,(H,18,19)/t9-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor in rat cerebral cortex


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 5.80n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210080
PNG
(8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo[1,...)
Show SMILES COC(=O)c1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C15H19NO4/c1-8(16)7-11-9-3-5-20-14(9)12(15(17)18-2)10-4-6-19-13(10)11/h8H,3-7,16H2,1-2H3/t8-/m1/s1
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n/an/an/an/a 880n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 32.7n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210079
PNG
((R)-2-[8-(2-methoxy-ethoxymethyl)-2,3,6,7-tetrahyd...)
Show SMILES COCCOCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H25NO4/c1-11(18)9-14-12-3-5-22-17(12)15(10-20-8-7-19-2)13-4-6-21-16(13)14/h11H,3-10,18H2,1-2H3/t11-/m1/s1
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n/an/an/an/a 71n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 6.20n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/an/an/a 6.20n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50210083
PNG
(CHEMBL232995 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(COCC(=O)Oc2ccccc2)c2CCOc12
Show InChI InChI=1S/C22H25NO5/c1-14(23)11-18-16-7-9-27-22(16)19(17-8-10-26-21(17)18)12-25-13-20(24)28-15-5-3-2-4-6-15/h2-6,14H,7-13,23H2,1H3/t14-/m1/s1
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n/an/an/an/a 59n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2B receptor in rat stomach fundus assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210086
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(-c2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C16H19N3O3/c1-8(17)7-12-10-3-5-21-15(10)13(11-4-6-20-14(11)12)16-18-9(2)19-22-16/h8H,3-7,17H2,1-2H3/t8-/m1/s1
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n/an/an/an/a 8.19E+3n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052337
PNG
(2-(8-bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']d...)
Show SMILES CC(N)Cc1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210084
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2ccoc2c(Cc2nc(C)no2)c2ccoc12
Show InChI InChI=1S/C17H17N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h3-6,9H,7-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 16.9n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210089
PNG
((R)-2-(8-methoxymethyl-benzo[1,2-b;4,5-b']difuran-...)
Show SMILES COCc1c2ccoc2c(C[C@@H](C)N)c2ccoc12
Show InChI InChI=1S/C15H17NO3/c1-9(16)7-12-10-3-5-19-15(10)13(8-17-2)11-4-6-18-14(11)12/h3-6,9H,7-8,16H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210081
PNG
((1R,2R)-2-amino-1-(8-bromo-2,3,6,7-tetrahydro-benz...)
Show SMILES C[C@@H](N)[C@H](O)c1c2CCOc2c(Br)c2CCOc12
Show InChI InChI=1S/C13H16BrNO3/c1-6(15)11(16)9-7-2-4-18-13(7)10(14)8-3-5-17-12(8)9/h6,11,16H,2-5,15H2,1H3/t6-,11+/m1/s1
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n/an/an/an/a 39n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 689n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2C receptor expressed in rat SR3T3 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210087
PNG
(CHEMBL394664 | [8-((R)-2-amino-propyl)-2,3,6,7-tet...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(CO)c2CCOc12
Show InChI InChI=1S/C14H19NO3/c1-8(15)6-11-9-2-4-18-14(9)12(7-16)10-3-5-17-13(10)11/h8,16H,2-7,15H2,1H3/t8-/m1/s1
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n/an/an/an/a 175n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210085
PNG
((R)-1-methyl-2-[8-(3-methyl-[1,2,4]oxadiazol-5-ylm...)
Show SMILES C[C@@H](N)Cc1c2CCOc2c(Cc2nc(C)no2)c2CCOc12
Show InChI InChI=1S/C17H21N3O3/c1-9(18)7-13-11-3-5-22-17(11)14(12-4-6-21-16(12)13)8-15-19-10(2)20-23-15/h9H,3-8,18H2,1-2H3/t9-/m1/s1
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n/an/an/an/a 49.2n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50210092
PNG
(3-[8-((R)-2-amino-propyl)-2,3,6,7-tetrahydro-benzo...)
Show SMILES COC(=O)CCc1c2CCOc2c(C[C@@H](C)N)c2CCOc12
Show InChI InChI=1S/C17H23NO4/c1-10(18)9-14-13-6-8-21-16(13)11(3-4-15(19)20-2)12-5-7-22-17(12)14/h10H,3-9,18H2,1-2H3/t10-/m1/s1
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n/an/an/an/a 26n/an/an/an/a



Alcon Research, Ltd

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in rat A7r5 cells assessed as intracellular calcium mobilization relative to 5HT


Bioorg Med Chem Lett 17: 2998-3002 (2007)


Article DOI: 10.1016/j.bmcl.2007.03.073
BindingDB Entry DOI: 10.7270/Q2KS6R7B
More data for this
Ligand-Target Pair
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