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2 similar compounds to monomer 50221004

Compile data set for download or QSAR
Wt: 404.9
BDBM50068237
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Wt: 369.4
BDBM50220993

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50068237,50220993   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+
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UniProtKB/SwissProt

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Article
PubMed
2.30n/an/an/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]rolipram as radioligand in crude rat brain homogenate


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50068237
PNG
(CHEMBL3403331)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3
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PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells at 0.1 and 1 uM


Bioorg Med Chem Lett 25: 1827-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.049
BindingDB Entry DOI: 10.7270/Q2S46TNV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50068237
PNG
(CHEMBL3403331)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3
UniProtKB/SwissProt

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PubMed
4.59E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human cloned 5-HT1A receptor expressed in HEK293 cells at 0.1 and 1 uM


Bioorg Med Chem Lett 25: 1827-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.049
BindingDB Entry DOI: 10.7270/Q2S46TNV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50068237
PNG
(CHEMBL3403331)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3
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5.19E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human cloned 5-HT2A receptor expressed in CHO-K1 cells at 0.1 and 1 uM


Bioorg Med Chem Lett 25: 1827-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.049
BindingDB Entry DOI: 10.7270/Q2S46TNV
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50068237
PNG
(CHEMBL3403331)
Show SMILES Cc1ccc(cc1)S(=O)(=O)c1nc(sc1Cl)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3
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Article
PubMed
6.37E+3n/an/an/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human cloned 5-HT7R expressed in HEK293 cells at 0.1 and 1 uM


Bioorg Med Chem Lett 25: 1827-30 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.049
BindingDB Entry DOI: 10.7270/Q2S46TNV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Rattus norvegicus)
BDBM50220993
PNG
(CHEMBL78238)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=N\N=C(\N)S)\c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-24-17-12-11-15(13-18(17)25-16-9-5-6-10-16)19(22-23-20(21)26)14-7-3-2-4-8-14/h2-4,7-8,11-13,16H,5-6,9-10H2,1H3,(H3,21,23,26)/b22-19+
PDB

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



LEAD GENE CO., LTD

Curated by ChEMBL


Assay Description
Inhibitory activity against purified rat liver phosphodiesterase 4


Bioorg Med Chem Lett 13: 2355-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00405-0
More data for this
Ligand-Target Pair