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BDBM75621 2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one::2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::MLS000549352::SMR000168935::cid_387161

SMILES: Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O

InChI Key: InChIKey=ZIRMOHZKJYUEBC-UHFFFAOYSA-N

Data: 1 IC50  4 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 = 75621   
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)
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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UniChem

Similars

n/an/an/an/a 9.58E+3n/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/Q2ST7N9K
More data for this
Ligand-Target Pair
Alpi


(Rattus norvegicus (Rat))
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
PDB

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B.MOAD
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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/Q25Q4TJ1
More data for this
Ligand-Target Pair
Intestinal alkaline phosphatase


(Homo sapiens)
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
PDB
MMDB

KEGG

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B.MOAD
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n/an/an/an/a 1.98E+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/Q2CF9NKD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens)
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
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n/an/an/an/a 1.36E+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/Q20Z71R6
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM75621
PNG
(2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES Cc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C12H14N4O2/c1-7-6-10(17)14-12(13-7)16-11(18)8-4-2-3-5-9(8)15-16/h6,15H,2-5H2,1H3,(H,13,14,17)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/an/an/a 1.22E+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/Q24Q7SF3
More data for this
Ligand-Target Pair