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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50024048   
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 7


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/a 2.55n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50242284
PNG
(CHEMBL487805 | scutellarin)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a 6.34E+4n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50250624
PNG
(7-glucuronyloxy-5,6,2'-trihydroxyflavone | CHEMBL5...)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O12/c22-8-4-2-1-3-7(8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a 1.35E+5n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50250625
PNG
(CHEMBL467197 | dihydrobaicalin)
Show SMILES O[C@@H]1[C@@H](O)[C@H](Oc2cc3O[C@@H](CC(=O)c3c(O)c2O)c2ccccc2)O[C@@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H20O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-5,7,10,16-19,21,23-27H,6H2,(H,28,29)/t10-,16-,17-,18+,19-,21+/m0/s1
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n/an/a 1.79E+5n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50242173
PNG
((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)
Show SMILES O[C@H]1[C@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
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n/an/a>3.50E+5n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50140257
PNG
(5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one | 5...)
Show SMILES COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
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n/an/a>3.50E+5n/an/an/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT7 receptor expressed in CHO cells


J Nat Prod 66: 535-7 (2003)


Article DOI: 10.1021/np0205102
BindingDB Entry DOI: 10.7270/Q2CZ36WZ
More data for this
Ligand-Target Pair