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PubMed code 21028889

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))
BDBM50335603
PNG
(CHEMBL1651095 | Pulicatin A)
Show SMILES C[C@@H]1SC(=N[C@@H]1CO)c1ccccc1O |r,c:3|
Show InChI InChI=1S/C11H13NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-5,7,9,13-14H,6H2,1H3/t7-,9+/m0/s1
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Article
PubMed
505n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335599
PNG
(CHEMBL1651091 | pulicatins F)
Show SMILES NC(=O)c1csc(n1)-c1ccccc1O
Show InChI InChI=1S/C10H8N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-5,13H,(H2,11,14)
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Article
PubMed
1.03E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335600
PNG
(CHEMBL1651092 | pulicatins G)
Show SMILES NC(=O)C1CSC(=N1)c1ccccc1O |c:6|
Show InChI InChI=1S/C10H10N2O2S/c11-9(14)7-5-15-10(12-7)6-3-1-2-4-8(6)13/h1-4,7,13H,5H2,(H2,11,14)
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PubMed
1.26E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335598
PNG
(CHEMBL1651090 | aerugine)
Show SMILES OC[C@@H]1CSC(=N1)c1ccccc1O |r,c:5|
Show InChI InChI=1S/C10H11NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-4,7,12-13H,5-6H2/t7-/m1/s1
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PubMed
1.36E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335604
PNG
(CHEMBL1651096 | pulicatin D)
Show SMILES Cc1sc(nc1C=O)-c1ccccc1O
Show InChI InChI=1S/C11H9NO2S/c1-7-9(6-13)12-11(15-7)8-4-2-3-5-10(8)14/h2-6,14H,1H3
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PubMed
1.54E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335601
PNG
(CHEMBL1651093 | Watasemycins A)
Show SMILES C[C@@H]1SC(=N[C@H]1[C@@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
Show InChI InChI=1S/C16H20N2O3S2/c1-9-12(14-18(3)16(2,8-22-14)15(20)21)17-13(23-9)10-6-4-5-7-11(10)19/h4-7,9,12,14,19H,8H2,1-3H3,(H,20,21)/t9-,12+,14-,16+/m0/s1
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PubMed
3.92E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50335602
PNG
(CHEMBL1651094 | Watasemycins B)
Show SMILES C[C@@H]1SC(=N[C@H]1[C@H]1SC[C@@](C)(N1C)C(O)=O)c1ccccc1O |r,c:3|
Show InChI InChI=1S/C16H20N2O3S2/c1-9-12(14-18(3)16(2,8-22-14)15(20)21)17-13(23-9)10-6-4-5-7-11(10)19/h4-7,9,12,14,19H,8H2,1-3H3,(H,20,21)/t9-,12+,14+,16+/m0/s1
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PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor by radioligand displacement assay


J Nat Prod 73: 1922-6 (2010)


Article DOI: 10.1021/np100588c
BindingDB Entry DOI: 10.7270/Q2K64JBK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%