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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50060417'   
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)
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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PubMed
1.29n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Br J Pharmacol 117: 427-434 (1996)


Article DOI: 10.1111/j.1476-5381.1996.tb15208.x
BindingDB Entry DOI: 10.7270/Q27W69Q5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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4.30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT2B receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 53: 7573-86 (2010)


Article DOI: 10.1021/jm100600y
BindingDB Entry DOI: 10.7270/Q2S182RT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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5.5n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 365: 242-52 (2002)


Article DOI: 10.1007/s00210-001-0505-y
BindingDB Entry DOI: 10.7270/Q2W37TWZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jnatprod.2c00365
BindingDB Entry DOI: 10.7270/Q2GX4GN3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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22.4n/an/an/an/an/an/an/an/a



Vernalis Research

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004)


Article DOI: 10.1007/s00210-004-0951-4
BindingDB Entry DOI: 10.7270/Q2M32TBD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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25n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT as radioligand


J Med Chem 41: 1598-612 (1998)


Article DOI: 10.1021/jm970741j
BindingDB Entry DOI: 10.7270/Q2WM1H48
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50060417
PNG
(5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-car...)
Show SMILES Cn1ccc2cc3N(CCc3cc12)C(=O)Nc1cccnc1
Show InChI InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)
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n/an/an/an/a 13n/an/an/an/a



National Institute of Neurological Disorders and Stroke

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human 5-HT2B receptor expressed in CHOK1 cells assessed as inhibition of serotonin-induced increase in inositol1-p...


J Med Chem 63: 5526-5567 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00424
BindingDB Entry DOI: 10.7270/Q28D00QN
More data for this
Ligand-Target Pair