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BDBM81099 2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::2-[2-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::2-[2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-1H-pyrimidin-4-one::2-[N'-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene]hydrazino]-6-methyl-1H-pyrimidin-4-one::MLS000761268::SMR000369573::cid_4574137

SMILES: Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1

InChI Key: InChIKey=MDGYBLKFMAWHGP-DYTRJAOYSA-N

Data: 4 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 4 hits for monomerid = 81099   
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
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81099
PNG
(2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C16H15ClN6O/c1-10-8-14(24)20-16(19-10)21-18-9-13-11(2)22-23(15(13)17)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,20,24)/b21-18+
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 8.43E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2ZS2TZG
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81099
PNG
(2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C16H15ClN6O/c1-10-8-14(24)20-16(19-10)21-18-9-13-11(2)22-23(15(13)17)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,20,24)/b21-18+
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.71E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q23T9FQ1
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM81099
PNG
(2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C16H15ClN6O/c1-10-8-14(24)20-16(19-10)21-18-9-13-11(2)22-23(15(13)17)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,20,24)/b21-18+
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.99E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q27H1H3W
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM81099
PNG
(2-[2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc(C)cc(=O)[nH]1)-c1ccccc1 |w:9.10|
Show InChI InChI=1S/C16H15ClN6O/c1-10-8-14(24)20-16(19-10)21-18-9-13-11(2)22-23(15(13)17)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,20,24)/b21-18+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>8.00E+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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2V12389
More data for this
Ligand-Target Pair