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BDBM33932 4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-dienone::4-(3H-1,3-benzothiazol-2-ylidene)cyclohexa-2,5-dien-1-one::CHEMBL47875::MLS000773814::SMR000364661::cid_5351155

SMILES: Oc1ccc(cc1)-c1nc2ccccc2s1

InChI Key: InChIKey=ODMDLCWSMSFWCW-UHFFFAOYSA-N

Data: 2 KI  3 IC50  1 EC50

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 6 hits for monomerid = 33932   
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
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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Article
PubMed
567n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 1.25 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase at 20 uM by Lineweaver-burk plot analysis


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair
Beta-glucuronidase


(Bos taurus (Bovine))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
KEGG

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of bovine liver beta glucuronidase assessed as p-nitrophenol formation after 30 mins by spectrophotometric method


Bioorg Med Chem 19: 4286-94 (2011)


Article DOI: 10.1016/j.bmc.2011.05.052
BindingDB Entry DOI: 10.7270/Q2FB55SC
More data for this
Ligand-Target Pair
tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]


(Homo sapiens (Human))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PCBioAssay
n/an/an/an/a>1.25E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2P55M4P
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
PDB

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antibodypedia
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PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.523



PCMD

Curated by PubChem BioAssay


Assay Description
HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K64GDN
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM33932
PNG
(4-(3H-1,3-benzothiazol-2-ylidene)-1-cyclohexa-2,5-...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H9NOS/c15-10-7-5-9(6-8-10)13-14-11-3-1-2-4-12(11)16-13/h1-8,15H
UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



Pusan National University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-tyrosine as a substrate


Bioorg Med Chem Lett 21: 2445-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.064
BindingDB Entry DOI: 10.7270/Q2PN95XZ
More data for this
Ligand-Target Pair