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4 similar compounds to monomer 50116963

Compile data set for download or QSAR
Wt: 386.5
BDBM50098548
Wt: 392.5
BDBM50354497
Wt: 408.9
BDBM50376327
Wt: 388.5
BDBM50403780

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50098548,50354497,50376327,50403780   
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
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50376327
PNG
(CHEMBL410226)
Show SMILES CCC1(CCCCN2CCC(=CC2)c2ccc(Cl)cc2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C25H29ClN2O/c1-2-25(22-7-3-4-8-23(22)27-24(25)29)15-5-6-16-28-17-13-20(14-18-28)19-9-11-21(26)12-10-19/h3-4,7-13H,2,5-6,14-18H2,1H3,(H,27,29)
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1.02n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


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


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50354497
PNG
(CHEMBL410225)
Show SMILES CCC1(CCCCN2CCC(=CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C25H29FN2O/c1-2-25(22-7-3-4-8-23(22)27-24(25)29)15-5-6-16-28-17-13-20(14-18-28)19-9-11-21(26)12-10-19/h3-4,7-13H,2,5-6,14-18H2,1H3,(H,27,29)
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1.19n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


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


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50354497
PNG
(CHEMBL410225)
Show SMILES CCC1(CCCCN2CCC(=CC2)c2ccc(F)cc2)C(=O)Nc2ccccc12
Show InChI InChI=1S/C25H29FN2O/c1-2-25(22-7-3-4-8-23(22)27-24(25)29)15-5-6-16-28-17-13-20(14-18-28)19-9-11-21(26)12-10-19/h3-4,7-13H,2,5-6,14-18H2,1H3,(H,27,29)
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1.20n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry


J Med Chem 54: 6657-69 (2011)


Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50403780
PNG
(CHEMBL12846)
Show SMILES O=C1Nc2cccc3CCCC1(CCCCN1CCC(CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H32N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12,21H,4-5,7,11,13-19H2,(H,27,29)
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2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity towards human recombinant 5-hydroxytryptamine 7 receptor using [3H]5-CT as radioligand


Bioorg Med Chem Lett 10: 1097-100 (2000)


Article DOI: 10.1016/s0960-894x(00)00166-9
BindingDB Entry DOI: 10.7270/Q2JS9RNJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50098548
PNG
((R)-2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)bu...)
Show SMILES O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)/t26-/m0/s1
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3.31n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


Article DOI: 10.1021/jm0108505
BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50098548
PNG
((R)-2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)bu...)
Show SMILES O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)/t26-/m0/s1
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105n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cells


J Med Chem 44: 1337-40 (2001)


Article DOI: 10.1021/jm0108505
BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50098548
PNG
((R)-2a-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)bu...)
Show SMILES O=C1Nc2cccc3CCC[C@@]1(CCCCN1CCC(=CC1)c1ccccc1)c23
Show InChI InChI=1S/C26H30N2O/c29-25-26(16-7-11-22-10-6-12-23(27-25)24(22)26)15-4-5-17-28-18-13-21(14-19-28)20-8-2-1-3-9-20/h1-3,6,8-10,12-13H,4-5,7,11,14-19H2,(H,27,29)/t26-/m0/s1
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170n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


Article DOI: 10.1021/jm0108505
BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair