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3 similar compounds to monomer 50039567

Wt: 351.4
BDBM50039564
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Wt: 325.3
BDBM50039565
Wt: 337.3
BDBM50039566

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50039564,50039565,50039566   
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
HTR1D


(RAT)
BDBM50039566
PNG
((3-Nitro-pyridin-2-yl)-(3-(R)-1-pyrrolidin-2-ylmet...)
Show SMILES [O-][N+](=O)c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C18H19N5O2/c24-23(25)17-4-2-8-20-18(17)22-14-5-6-16-15(10-14)12(11-21-16)9-13-3-1-7-19-13/h2,4-6,8,10-11,13,19,21H,1,3,7,9H2,(H,20,22)/t13-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039566
PNG
((3-Nitro-pyridin-2-yl)-(3-(R)-1-pyrrolidin-2-ylmet...)
Show SMILES [O-][N+](=O)c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C18H19N5O2/c24-23(25)17-4-2-8-20-18(17)22-14-5-6-16-15(10-14)12(11-21-16)9-13-3-1-7-19-13/h2,4-6,8,10-11,13,19,21H,1,3,7,9H2,(H,20,22)/t13-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039564
PNG
(CHEMBL83597 | [3-((R)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
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n/an/a 73n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50039564
PNG
(CHEMBL83597 | [3-((R)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039564
PNG
(CHEMBL83597 | [3-((R)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
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n/an/an/an/a 47n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50039566
PNG
((3-Nitro-pyridin-2-yl)-(3-(R)-1-pyrrolidin-2-ylmet...)
Show SMILES [O-][N+](=O)c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C18H19N5O2/c24-23(25)17-4-2-8-20-18(17)22-14-5-6-16-15(10-14)12(11-21-16)9-13-3-1-7-19-13/h2,4-6,8,10-11,13,19,21H,1,3,7,9H2,(H,20,22)/t13-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
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n/an/an/an/a 2n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039566
PNG
((3-Nitro-pyridin-2-yl)-(3-(R)-1-pyrrolidin-2-ylmet...)
Show SMILES [O-][N+](=O)c1cccnc1Nc1ccc2[nH]cc(C[C@H]3CCCN3)c2c1
Show InChI InChI=1S/C18H19N5O2/c24-23(25)17-4-2-8-20-18(17)22-14-5-6-16-15(10-14)12(11-21-16)9-13-3-1-7-19-13/h2,4-6,8,10-11,13,19,21H,1,3,7,9H2,(H,20,22)/t13-/m1/s1
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50039564
PNG
(CHEMBL83597 | [3-((R)-1-Methyl-pyrrolidin-2-ylmeth...)
Show SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
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n/an/an/an/a 170n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of forskolin stimulated adenylate cyclase at 5-hydroxytryptamine 1A receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair
HTR1D


(RAT)
BDBM50039565
PNG
(CHEMBL314213 | [3-(2-Dimethylamino-ethyl)-1H-indol...)
Show SMILES CN(C)CCc1c[nH]c2ccc(Nc3ncccc3[N+]([O-])=O)cc12
Show InChI InChI=1S/C17H19N5O2/c1-21(2)9-7-12-11-19-15-6-5-13(10-14(12)15)20-17-16(22(23)24)4-3-8-18-17/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured against serotonin 5-hydroxytryptamine 1D receptor


J Med Chem 37: 2509-12 (1994)


Article DOI: 10.1021/jm00042a003
BindingDB Entry DOI: 10.7270/Q2S181JQ
More data for this
Ligand-Target Pair