BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'moon' and Initial = 'hi'   
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
Histone deacetylase


(Homo sapiens (Human))
BDBM19149
PNG
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)
Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1
Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Wonkwang University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cells


Bioorg Med Chem Lett 17: 4753-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.060
BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50310255
PNG
(CHEMBL592228 | epicatechin-(4beta-6)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38?,40-,41-,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50476976
PNG
(CHEBI:8329 | Pomiferin)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])c(-[#8])c3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:26|
Show InChI InChI=1S/C25H24O6/c1-13(2)5-7-15-21(28)20-22(29)17(14-6-8-18(26)19(27)11-14)12-30-24(20)16-9-10-25(3,4)31-23(15)16/h5-6,8-12,26-28H,7H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Wonkwang University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cells


Bioorg Med Chem Lett 17: 4753-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.060
BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232202
PNG
((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50310255
PNG
(CHEMBL592228 | epicatechin-(4beta-6)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c(C3[C@@H](O)[C@H](Oc4cc(O)c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38?,40-,41-,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232204
PNG
(3,4,5-Trimethoxycinnamic acid (TMCA))
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232201
PNG
((E)-N-Hexyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-8-11-19-17(20)10-9-14-12-15(21-2)18(23-4)16(13-14)22-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.50E+3n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232200
PNG
((E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.60E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232199
PNG
((E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
Show InChI InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.90E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50442397
PNG
(OSAJIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(occ(-c3ccc(-[#8])cc3)c2=O)c2-[#6]=[#6]C([#6])([#6])[#8]-c12 |c:25|
Show InChI InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.53E+3n/an/an/an/an/an/a



Wonkwang University

Curated by ChEMBL


Assay Description
Inhibition of HDAC in HeLa cells


Bioorg Med Chem Lett 17: 4753-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.060
BindingDB Entry DOI: 10.7270/Q2FJ2KJ4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232203
PNG
((E)-N-Decyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H35NO4/c1-5-6-7-8-9-10-11-12-15-23-21(24)14-13-18-16-19(25-2)22(27-4)20(17-18)26-3/h13-14,16-17H,5-12,15H2,1-4H3,(H,23,24)/b14-13+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM232204
PNG
(3,4,5-Trimethoxycinnamic acid (TMCA))
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+3n/an/an/an/a7.427



Ewha Womans University



Assay Description
For the binding assay, aliquots of receptor membranes, 0.25 nM [3H]8-OH-DPAT (8-hydroxy-2-(di-N-propylamino)tetralin, 154.3 Ci/mM; New England Nuclea...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50170723
PNG
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)
Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.63E+3n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50170723
PNG
(1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide...)
Show SMILES NC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
Show InChI InChI=1S/C22H30Cl2N10/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 7.63E+3n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232202
PNG
((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.80E+3n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232199
PNG
((E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
Show InChI InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232200
PNG
((E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232201
PNG
((E)-N-Hexyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-8-11-19-17(20)10-9-14-12-15(21-2)18(23-4)16(13-14)22-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232202
PNG
((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232201
PNG
((E)-N-Hexyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-8-11-19-17(20)10-9-14-12-15(21-2)18(23-4)16(13-14)22-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232204
PNG
(3,4,5-Trimethoxycinnamic acid (TMCA))
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232199
PNG
((E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
Show InChI InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232200
PNG
((E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232201
PNG
((E)-N-Hexyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-8-11-19-17(20)10-9-14-12-15(21-2)18(23-4)16(13-14)22-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232202
PNG
((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM232204
PNG
(3,4,5-Trimethoxycinnamic acid (TMCA))
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232200
PNG
((E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.427



Ewha Womans University



Assay Description
For receptor binding assays, human 5-HT6 and 5-HT7 serotonin receptors expressed in CHO-K1 cells (PerkinElmer) were used. For 5-HT6 receptor binding,...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232202
PNG
((E)-N-Octyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H31NO4/c1-5-6-7-8-9-10-13-21-19(22)12-11-16-14-17(23-2)20(25-4)18(15-16)24-3/h11-12,14-15H,5-10,13H2,1-4H3,(H,21,22)/b12-11+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232201
PNG
((E)-N-Hexyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H27NO4/c1-5-6-7-8-11-19-17(20)10-9-14-12-15(21-2)18(23-4)16(13-14)22-3/h9-10,12-13H,5-8,11H2,1-4H3,(H,19,20)/b10-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232200
PNG
((E)-N-Butyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES CCCCNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H23NO4/c1-5-6-9-17-15(18)8-7-12-10-13(19-2)16(21-4)14(11-12)20-3/h7-8,10-11H,5-6,9H2,1-4H3,(H,17,18)/b8-7+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232204
PNG
(3,4,5-Trimethoxycinnamic acid (TMCA))
Show SMILES COc1cc(\C=C\C(O)=O)cc(OC)c1OC
Show InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM232199
PNG
((E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
Show InChI InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
Frozen membranes from a stable CHO-K1 cell line expressing the human recombinant 5-HT2C receptor (PerkinElmer) were used. For the binding assay, [3H]...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232198
PNG
((E)-N-Methyl-3-(3,4,5-trimethoxyphenyl) acrylamide...)
Show SMILES CNC(=O)\C=C\c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C13H17NO4/c1-14-12(15)6-5-9-7-10(16-2)13(18-4)11(8-9)17-3/h5-8H,1-4H3,(H,14,15)/b6-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM232199
PNG
((E)-N-Allyl-3-(3,4,5-trimethoxyphenyl) acrylamide ...)
Show SMILES COc1cc(\C=C\C(=O)NCC=C)cc(OC)c1OC
Show InChI InChI=1S/C15H19NO4/c1-5-8-16-14(17)7-6-11-9-12(18-2)15(20-4)13(10-11)19-3/h5-7,9-10H,1,8H2,2-4H3,(H,16,17)/b7-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.4n/a



Ewha Womans University



Assay Description
For serotonin 5-HT2A binding, an aliquot of frozen membrane from a CHO-K1 cell line expressing the human recombinant 5-HT2A receptor (PerkinElmer) an...


J Enzyme Inhib Med Chem 25: 38-43 (2010)


Article DOI: 10.3109/14756360902932784
BindingDB Entry DOI: 10.7270/Q2F76BDV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50310254
PNG
(CHEMBL592329 | epicatechin-(4beta-8)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.24E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50310254
PNG
(CHEMBL592329 | epicatechin-(4beta-8)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-26(53)33-32(11-18)62-43(16-2-5-21(48)24(51)8-16)40(59)37(33)35-27(54)13-28(55)36-38(41(60)44(63-45(35)36)17-3-6-22(49)25(52)9-17)34-29(56)14-31-19(39(34)58)12-30(57)42(61-31)15-1-4-20(47)23(50)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37-,38+,40-,41-,42-,43-,44-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.73E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50240460
PNG
((2R,3R,4R,2'R,3'R,4'S,2''R,3''R)-2,2',2''-Tris-(3,...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.14E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50310256
PNG
(CHEMBL592373 | epicatechin-(4beta-8)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.92E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50310256
PNG
(CHEMBL592373 | epicatechin-(4beta-8)-epicatechin-(...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc(O)c4[C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6c([C@@H]7[C@@H](O)[C@H](Oc8cc(O)cc(O)c78)c7ccc(O)c(O)c7)c(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C75H62O30/c76-28-16-41(88)51-50(17-28)101-68(24-2-7-31(78)37(84)12-24)63(97)59(51)53-43(90)20-45(92)55-61(65(99)70(103-73(53)55)26-4-9-33(80)39(86)14-26)57-47(94)22-48(95)58-62(66(100)71(105-75(57)58)27-5-10-34(81)40(87)15-27)56-46(93)21-44(91)54-60(64(98)69(104-74(54)56)25-3-8-32(79)38(85)13-25)52-42(89)19-35(82)29-18-49(96)67(102-72(29)52)23-1-6-30(77)36(83)11-23/h1-17,19-22,49,59-71,76-100H,18H2/t49-,59-,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.32E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50240460
PNG
((2R,3R,4R,2'R,3'R,4'S,2''R,3''R)-2,2',2''-Tris-(3,...)
Show SMILES O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4c([C@@H]5[C@@H](O)[C@H](Oc6cc(O)cc(O)c56)c5ccc(O)c(O)c5)c(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.32E+4n/an/an/an/an/an/a



Wonkwang University Sanbon Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate reader


Bioorg Med Chem Lett 20: 991-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.059
BindingDB Entry DOI: 10.7270/Q2NP24J0
More data for this
Ligand-Target Pair