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3 similar compounds to monomer 50271765

Compile data set for download or QSAR
Wt: 396.3
BDBM59933
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Wt: 207.1
BDBM93694
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Wt: 283.3
BDBM50142213

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 59933,93694,50142213   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM50142213
PNG
((E)-But-2-enoic acid [4-(3-methoxy-phenoxy)-phenyl...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)\C=C\C)cc2)c1
Show InChI InChI=1S/C17H17NO3/c1-3-5-17(19)18-13-8-10-14(11-9-13)21-16-7-4-6-15(12-16)20-2/h3-12H,1-2H3,(H,18,19)/b5-3+
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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1B


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50142213
PNG
((E)-But-2-enoic acid [4-(3-methoxy-phenoxy)-phenyl...)
Show SMILES COc1cccc(Oc2ccc(NC(=O)\C=C\C)cc2)c1
Show InChI InChI=1S/C17H17NO3/c1-3-5-17(19)18-13-8-10-14(11-9-13)21-16-7-4-6-15(12-16)20-2/h3-12H,1-2H3,(H,18,19)/b5-3+
PDB

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Article
PubMed
98n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human melatonin receptor type 1A


Bioorg Med Chem Lett 14: 1023-6 (2004)


Article DOI: 10.1016/j.bmcl.2003.11.030
BindingDB Entry DOI: 10.7270/Q2HT2NSG
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM93694
PNG
((E)-4-(4-hydroxyanilino)-4-keto-but-2-enoic acid |...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+
PDB

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PCBioAssay
n/an/a 6.73E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93694
PNG
((E)-4-(4-hydroxyanilino)-4-keto-but-2-enoic acid |...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM59933
PNG
((E)-4-[4-[4-[[(E)-3-carboxy-1-oxoprop-2-enyl]amino...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(Oc2ccc(NC(=O)\C=C\C(O)=O)cc2)cc1
Show InChI InChI=1S/C20H16N2O7/c23-17(9-11-19(25)26)21-13-1-5-15(6-2-13)29-16-7-3-14(4-8-16)22-18(24)10-12-20(27)28/h1-12H,(H,21,23)(H,22,24)(H,25,26)(H,27,28)/b11-9+,12-10+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.48E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q27W69N8
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM93694
PNG
((E)-4-(4-hydroxyanilino)-4-keto-but-2-enoic acid |...)
Show SMILES OC(=O)\C=C\C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C10H9NO4/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(14)15/h1-6,12H,(H,11,13)(H,14,15)/b6-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.06E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair