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10 similar compounds to monomer 50060417

Compile data set for download or QSAR
Wt: 292.3
BDBM50407399
Wt: 306.3
BDBM50407993
Wt: 306.3
BDBM50407994
Wt: 292.3
BDBM50407996
Wt: 320.3
BDBM50407997
Wt: 368.4
BDBM50407999
Wt: 278.3
BDBM50408000
Wt: 320.3
BDBM50408001
Wt: 292.3
BDBM50408002
Wt: 305.3
BDBM50408003

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50407399,50407993,50407994,50407996,50407997,50407999,50408000,50408001,50408002,50408003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407993
PNG
(CHEMBL148385)
Show SMILES CCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-2-21-8-5-13-11-17-14(10-16(13)21)6-9-22(17)18(23)20-15-4-3-7-19-12-15/h3-5,7-8,10-12H,2,6,9H2,1H3,(H,20,23)
KEGG

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PubMed
7.94n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50408001
PNG
(CHEMBL147820)
Show SMILES CC(C)n1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-13(2)22-8-5-14-11-18-15(10-17(14)22)6-9-23(18)19(24)21-16-4-3-7-20-12-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,21,24)
KEGG

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10n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407997
PNG
(CHEMBL2112859)
Show SMILES CCCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-2-8-22-9-5-14-12-18-15(11-17(14)22)6-10-23(18)19(24)21-16-4-3-7-20-13-16/h3-5,7,9,11-13H,2,6,8,10H2,1H3,(H,21,24)
KEGG

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12.6n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407399
PNG
(CHEMBL315223)
Show SMILES Cn1ccc2c3CCN(C(=O)Nc4cccnc4)c3ccc12
Show InChI InChI=1S/C17H16N4O/c1-20-9-6-13-14-7-10-21(16(14)5-4-15(13)20)17(22)19-12-3-2-8-18-11-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)
KEGG

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25.1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407994
PNG
(CHEMBL343455)
Show SMILES Cc1cc2cc3N(CCc3cc2n1C)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-12-8-14-10-17-13(9-16(14)21(12)2)5-7-22(17)18(23)20-15-4-3-6-19-11-15/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,23)
KEGG

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39.8n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407999
PNG
(CHEMBL356146)
Show SMILES O=C(Nc1cccnc1)N1CCc2cc3n(Cc4ccccc4)ccc3cc12
Show InChI InChI=1S/C23H20N4O/c28-23(25-20-7-4-10-24-15-20)27-12-9-19-13-21-18(14-22(19)27)8-11-26(21)16-17-5-2-1-3-6-17/h1-8,10-11,13-15H,9,12,16H2,(H,25,28)
KEGG

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50.1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50408003
PNG
(CHEMBL148347)
Show SMILES Cc1cn(C)c2cc3CCN(C(=O)Nc4ccccc4)c3cc12
Show InChI InChI=1S/C19H19N3O/c1-13-12-21(2)18-10-14-8-9-22(17(14)11-16(13)18)19(23)20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
KEGG

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126n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50408000
PNG
(CHEMBL357870)
Show SMILES O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc12
Show InChI InChI=1S/C16H14N4O/c21-16(19-13-2-1-5-17-10-13)20-7-4-12-8-14-11(3-6-18-14)9-15(12)20/h1-3,5-6,8-10,18H,4,7H2,(H,19,21)
KEGG

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126n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50407996
PNG
(CHEMBL342776)
Show SMILES Cn1ccc2c3N(CCc3ccc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-9-7-14-15(20)5-4-12-6-10-21(16(12)14)17(22)19-13-3-2-8-18-11-13/h2-5,7-9,11H,6,10H2,1H3,(H,19,22)
KEGG

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200n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50408002
PNG
(CHEMBL146830)
Show SMILES Cn1ccc2cc3CCN(C(=O)Nc4cccnc4)c3cc12
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-9-13-5-8-21(16(13)10-15(12)20)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
KEGG

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1.26E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from rat 5-HT2C receptor expressed in HEK293


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50408003
PNG
(CHEMBL148347)
Show SMILES Cc1cn(C)c2cc3CCN(C(=O)Nc4ccccc4)c3cc12
Show InChI InChI=1S/C19H19N3O/c1-13-12-21(2)18-10-14-8-9-22(17(14)11-16(13)18)19(23)20-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
KEGG

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n/an/an/a 6.31n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50408001
PNG
(CHEMBL147820)
Show SMILES CC(C)n1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-13(2)22-8-5-14-11-18-15(10-17(14)22)6-9-23(18)19(24)21-16-4-3-7-20-12-16/h3-5,7-8,10-13H,6,9H2,1-2H3,(H,21,24)
KEGG

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n/an/an/a 6.31n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407999
PNG
(CHEMBL356146)
Show SMILES O=C(Nc1cccnc1)N1CCc2cc3n(Cc4ccccc4)ccc3cc12
Show InChI InChI=1S/C23H20N4O/c28-23(25-20-7-4-10-24-15-20)27-12-9-19-13-21-18(14-22(19)27)8-11-26(21)16-17-5-2-1-3-6-17/h1-8,10-11,13-15H,9,12,16H2,(H,25,28)
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n/an/an/a 200n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407994
PNG
(CHEMBL343455)
Show SMILES Cc1cc2cc3N(CCc3cc2n1C)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-12-8-14-10-17-13(9-16(14)21(12)2)5-7-22(17)18(23)20-15-4-3-6-19-11-15/h3-4,6,8-11H,5,7H2,1-2H3,(H,20,23)
KEGG

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n/an/an/a 19.9n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407399
PNG
(CHEMBL315223)
Show SMILES Cn1ccc2c3CCN(C(=O)Nc4cccnc4)c3ccc12
Show InChI InChI=1S/C17H16N4O/c1-20-9-6-13-14-7-10-21(16(14)5-4-15(13)20)17(22)19-12-3-2-8-18-11-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)
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n/an/an/a 17.8n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory potency against rat stomach fundus 5-hydroxytryptamine 2B receptor


J Med Chem 38: 2524-30 (1995)


Article DOI: 10.1021/jm00014a004
BindingDB Entry DOI: 10.7270/Q2MP54HC
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407399
PNG
(CHEMBL315223)
Show SMILES Cn1ccc2c3CCN(C(=O)Nc4cccnc4)c3ccc12
Show InChI InChI=1S/C17H16N4O/c1-20-9-6-13-14-7-10-21(16(14)5-4-15(13)20)17(22)19-12-3-2-8-18-11-12/h2-6,8-9,11H,7,10H2,1H3,(H,19,22)
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n/an/an/a 15.8n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407997
PNG
(CHEMBL2112859)
Show SMILES CCCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C19H20N4O/c1-2-8-22-9-5-14-12-18-15(11-17(14)22)6-10-23(18)19(24)21-16-4-3-7-20-13-16/h3-5,7,9,11-13H,2,6,8,10H2,1H3,(H,21,24)
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n/an/an/a 7.94n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50407993
PNG
(CHEMBL148385)
Show SMILES CCn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-2-21-8-5-13-11-17-14(10-16(13)21)6-9-22(17)18(23)20-15-4-3-7-19-12-15/h3-5,7-8,10-12H,2,6,9H2,1H3,(H,20,23)
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n/an/an/a 10n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50408000
PNG
(CHEMBL357870)
Show SMILES O=C(Nc1cccnc1)N1CCc2cc3[nH]ccc3cc12
Show InChI InChI=1S/C16H14N4O/c21-16(19-13-2-1-5-17-10-13)20-7-4-12-8-14-11(3-6-18-14)9-15(12)20/h1-3,5-6,8-10,18H,4,7H2,(H,19,21)
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n/an/an/a 31.6n/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of 5-HT binding to 5-HT2B receptor of Rat stomach fundus


J Med Chem 39: 4966-77 (1997)


Article DOI: 10.1021/jm960571v
BindingDB Entry DOI: 10.7270/Q2S75HJF
More data for this
Ligand-Target Pair