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BDBM76195 6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1-methyl-cyclopropanecarbonyl)-hydrazide::MLS000768335::N'-(2-bromanyl-1-methyl-cyclopropyl)carbonyl-6-oxidanylidene-pyran-3-carbohydrazide::N'-(2-bromo-1-methyl-cyclopropanecarbonyl)-6-keto-pyran-3-carbohydrazide::N'-(2-bromo-1-methylcyclopropanecarbonyl)-6-oxopyran-3-carbohydrazide::N'-[(2-bromo-1-methylcyclopropyl)-oxomethyl]-6-oxo-3-pyrancarbohydrazide::SMR000431656::cid_3510920

SMILES: CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1

InChI Key: InChIKey=XMYPLAYZCHLORV-UHFFFAOYSA-N

Data: 3 IC50  2 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 5 hits for monomerid = 76195   
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
Intestinal alkaline phosphatase


(Homo sapiens (Human))
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q29G5K8R
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.79E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2SJ1J25
More data for this
Ligand-Target Pair
Homo sapiens huntingtin (HTT), mRNA


(Homo sapiens (Human))
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2N58K09
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 1.10E+4n/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 (2010)


Article DOI: 10.1039/c4ob00214h
BindingDB Entry DOI: 10.7270/Q2DB809V
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM76195
PNG
(6-Oxo-6H-pyran-3-carboxylic acid N'-(2-bromo-1...)
Show SMILES CC1(CC1Br)C(=O)NNC(=O)c1ccc(=O)oc1
Show InChI InChI=1S/C11H11BrN2O4/c1-11(4-7(11)12)10(17)14-13-9(16)6-2-3-8(15)18-5-6/h2-3,5,7H,4H2,1H3,(H,13,16)(H,14,17)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2H130G1
More data for this
Ligand-Target Pair