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BDBM41889 1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)ethanone;hydrochloride::1-(3,4-dihydroxyphenyl)-2-(2-methylimidazol-1-yl)ethanone;hydrochloride::1-[3,4-bis(oxidanyl)phenyl]-2-(2-methylimidazol-1-yl)ethanone;hydrochloride::CHEMBL589756::MLS-0315852.0001::cid_25067491

SMILES: Cc1nccn1CC(=O)c1ccc(O)c(O)c1

InChI Key: InChIKey=KSGAXVJQIURHFA-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 41889   
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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
PDB
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KEGG

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 6.46E+4n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2JQ0ZDS
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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CHEMBL
PC cid
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UniChem

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PCBioAssay
n/an/a 5.96E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RRG
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
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n/an/a 2.37E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
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KEGG

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Article
PubMed
n/an/a 3.05E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of GCAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 7.83E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
PDB
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KEGG

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UniProtKB/TrEMBL

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 6.46E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of IAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.43E+4n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair
Phospholipase A-2-activating protein


(Homo sapiens (Human))
BDBM41889
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-imidazolyl)e...)
Show SMILES Cc1nccn1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C12H12N2O3/c1-8-13-4-5-14(8)7-12(17)9-2-3-10(15)11(16)6-9/h2-6,15-16H,7H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PLAP by analogous luminescence assay


Bioorg Med Chem 18: 573-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.012
BindingDB Entry DOI: 10.7270/Q24T6JHR
More data for this
Ligand-Target Pair