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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50041096   
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 2B


(RAT)		BDBM50404734
PNG
(CHEMBL161751)
Show SMILES CNCCC1CCc2ccccc12
Show InChI InChI=1S/C12H17N/c1-13-9-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11,13H,6-9H2,1H3
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n/an/an/a 4.27E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404736
PNG
(CHEMBL161241)
Show SMILES CN(C)CCC1=CCc2ccccc12 |t:5|
Show InChI InChI=1S/C13H17N/c1-14(2)10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,8H,7,9-10H2,1-2H3
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n/an/an/a 2.09E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404730
PNG
(CHEMBL159689)
Show SMILES CN(C)CCC1CCc2ccccc12
Show InChI InChI=1S/C13H19N/c1-14(2)10-9-12-8-7-11-5-3-4-6-13(11)12/h3-6,12H,7-10H2,1-2H3
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n/an/an/a 4.57E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404731
PNG
(CHEMBL138614)
Show SMILES CN(C)CCNc1ccccc1
Show InChI InChI=1S/C10H16N2/c1-12(2)9-8-11-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
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n/an/an/a 955n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404732
PNG
(CHEMBL159503)
Show SMILES CN(C)CCC1CNc2ccccc12
Show InChI InChI=1S/C12H18N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,10,13H,7-9H2,1-2H3
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n/an/an/a 2.09E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404733
PNG
(CHEMBL159346)
Show SMILES NCCC1CCc2ccccc12
Show InChI InChI=1S/C11H15N/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8,12H2
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n/an/an/a 2.51E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/an/a 83.2n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404734
PNG
(CHEMBL161751)
Show SMILES CNCCC1CCc2ccccc12
Show InChI InChI=1S/C12H17N/c1-13-9-8-11-7-6-10-4-2-3-5-12(10)11/h2-5,11,13H,6-9H2,1H3
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n/an/an/a 2.19E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50404735
PNG
(CHEMBL352140)
Show SMILES COc1ccc2NCC(CCN(C)C)c2c1
Show InChI InChI=1S/C13H20N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8,10,14H,6-7,9H2,1-3H3
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n/an/an/a 182n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50047897
PNG
(CHEMBL289199 | Dimethyl-(3-phenyl-propyl)-amine)
Show SMILES CN(C)CCCc1ccccc1
Show InChI InChI=1S/C11H17N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
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n/an/an/a 8.13E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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n/an/an/a 2.45E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM30701
PNG
(2-(1H-indol-3-yl)-N-methyl-ethanamine | 2-(1H-indo...)
Show SMILES CNCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C11H14N2/c1-12-7-6-9-8-13-11-5-3-2-4-10(9)11/h2-5,8,12-13H,6-7H2,1H3
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n/an/an/a 1.07E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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n/an/an/a 537n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50036731
PNG
(3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...)
Show SMILES CN(C)CCC(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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n/an/an/a 4.79E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(RAT)		BDBM50026868
PNG
(2-(1H-indol-3-yl)-N,N-dimethylethanamine | 2-(3-in...)
Show SMILES CN(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus

J Med Chem 25: 68-70 (1982)


BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair