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BDBM41887 1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;hydrochloride::1-(3,4-dihydroxyphenyl)-2-imidazol-1-yl-ethanone;hydrochloride::1-(3,4-dihydroxyphenyl)-2-imidazol-1-ylethanone;hydrochloride::1-[3,4-bis(oxidanyl)phenyl]-2-imidazol-1-yl-ethanone;hydrochloride::CHEMBL349641::MLS-0315813.0002::cid_25067472::cid_52780

SMILES: Oc1ccc(cc1O)C(=O)Cn1ccnc1

InChI Key: InChIKey=JHQYDDFNYJJOIA-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 41887   
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))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 3.02E+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 placental-like


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 1.85E+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))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+5n/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))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.20E+3n/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 placental-like


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 2.11E+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
Phospholipase A-2-activating protein


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.10E+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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/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))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 3.02E+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
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM41887
PNG
(1-(3,4-dihydroxyphenyl)-2-(1-imidazolyl)ethanone;h...)
Show SMILES Oc1ccc(cc1O)C(=O)Cn1ccnc1
Show InChI InChI=1S/C11H10N2O3/c14-9-2-1-8(5-10(9)15)11(16)6-13-4-3-12-7-13/h1-5,7,14-15H,6H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PCBioAssay
n/an/a 5.37E+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