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BDBM50413555 CHEMBL469568

SMILES: Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1

InChI Key: InChIKey=KXHGSYJSIPFIRS-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50413555   
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 1A


(Homo sapiens (human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1A assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1D assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT1B assessed as GTPgammaS binding by scintillation proximity assay in presence of 5-HT


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram human SerT receptor expressed in LLCPK cells


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50413555
PNG
(CHEMBL469568)
Show SMILES Cc1ccc2c(cccc2n1)N1CCN(CCc2cccc3N(C4CC4)C(=O)COc23)CC1
Show InChI InChI=1S/C27H30N4O2/c1-19-8-11-22-23(28-19)5-3-6-24(22)30-16-14-29(15-17-30)13-12-20-4-2-7-25-27(20)33-18-26(32)31(25)21-9-10-21/h2-8,11,21H,9-10,12-18H2,1H3
PDB
MMDB

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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide human ERG expressed in CHO cells


Bioorg Med Chem Lett 19: 2338-42 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.056
BindingDB Entry DOI: 10.7270/Q2J967MX
More data for this
Ligand-Target Pair