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BDBM43803 2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-3-one::MLS-0093748.0001::cid_3762210

SMILES: CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O

InChI Key: InChIKey=QRMVKLMHBMTFKF-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 43803   
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, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43803
PNG
(2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-2-5-9-8-12(19)16-14(15-9)18-13(20)10-6-3-4-7-11(10)17-18/h8,17H,2-7H2,1H3,(H,15,16,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 9.76E+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/Q20K26Z8
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43803
PNG
(2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-2-5-9-8-12(19)16-14(15-9)18-13(20)10-6-3-4-7-11(10)17-18/h8,17H,2-7H2,1H3,(H,15,16,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.06E+4n/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/Q2N58JTN
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM43803
PNG
(2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-2-5-9-8-12(19)16-14(15-9)18-13(20)10-6-3-4-7-11(10)17-18/h8,17H,2-7H2,1H3,(H,15,16,19)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.79E+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 (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM43803
PNG
(2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-4,5,6,7-tetr...)
Show SMILES CCCc1cc(=O)[nH]c(n1)-n1[nH]c2CCCCc2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-2-5-9-8-12(19)16-14(15-9)18-13(20)10-6-3-4-7-11(10)17-18/h8,17H,2-7H2,1H3,(H,15,16,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

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
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